CID 171120051

Dgta(14:0/14:0)

Structural Information

Molecular Formula
C38H74NO7
SMILES
CCCCCCCCCCCCCC(=O)OC[C@H](COCC(C[N+](C)(C)C)C(=O)O)OC(=O)CCCCCCCCCCCCC
InChI
InChI=1S/C38H73NO7/c1-6-8-10-12-14-16-18-20-22-24-26-28-36(40)45-33-35(32-44-31-34(38(42)43)30-39(3,4)5)46-37(41)29-27-25-23-21-19-17-15-13-11-9-7-2/h34-35H,6-33H2,1-5H3/p+1/t34?,35-/m0/s1
InChIKey
FLBPMPGLZMWCCM-HTIIIDOHSA-O
Compound name
[2-carboxy-3-[(2S)-2,3-di(tetradecanoyloxy)propoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

656.5465 Da
Monoisotopic Mass

12.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 657.55378 269.8
[M+Na]+ 679.53572 274.7
[M-H]- 655.53922 265.2
[M+NH4]+ 674.58032 278.6
[M+K]+ 695.50966 276.5
[M+H-H2O]+ 639.54376 265.0
[M+HCOO]- 701.54470 270.1
[M+CH3COO]- 715.56035 270.8
[M+Na-2H]- 677.52117 253.8
[M]+ 656.54595 268.7
[M]- 656.54705 268.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.