CID 156907996

Qgihqxkfcaachn-bkavpclvsa-o

Structural Information

Molecular Formula
C31H60NO4
SMILES
CCCCCCCC/C=C\CCCCCCCCCCCCCC(=O)O[C@H](CC(=O)O)C[N+](C)(C)C
InChI
InChI=1S/C31H59NO4/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-24-25-26-31(35)36-29(27-30(33)34)28-32(2,3)4/h12-13,29H,5-11,14-28H2,1-4H3/p+1/b13-12-/t29-/m1/s1
InChIKey
QGIHQXKFCAACHN-BKAVPCLVSA-O
Compound name
[(2R)-3-carboxy-2-[(Z)-tetracos-15-enoyl]oxypropyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

510.45224 Da
Monoisotopic Mass

10.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 511.45952 242.7
[M+Na]+ 533.44146 249.5
[M-H]- 509.44496 235.7
[M+NH4]+ 528.48606 246.2
[M+K]+ 549.41540 247.5
[M+H-H2O]+ 493.44950 237.0
[M+HCOO]- 555.45044 250.7
[M+CH3COO]- 569.46609 245.2
[M+Na-2H]- 531.42691 229.2
[M]+ 510.45169 241.1
[M]- 510.45279 241.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.