CID 171120569

Mgts(20:0/0:0)

Structural Information

Molecular Formula
C30H60NO6
SMILES
CCCCCCCCCCCCCCCCCCCC(=O)OC[C@H](COCCC(C(=O)O)[N+](C)(C)C)O
InChI
InChI=1S/C30H59NO6/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-29(33)37-26-27(32)25-36-24-23-28(30(34)35)31(2,3)4/h27-28,32H,5-26H2,1-4H3/p+1/t27-,28?/m0/s1
InChIKey
OADXVYZYMMEJSD-MBMZGMDYSA-O
Compound name
[1-carboxy-3-[(2S)-2-hydroxy-3-icosanoyloxypropoxy]propyl]-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

530.4421 Da
Monoisotopic Mass

8.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 531.44938 242.6
[M+Na]+ 553.43132 247.4
[M-H]- 529.43482 237.5
[M+NH4]+ 548.47592 246.6
[M+K]+ 569.40526 245.9
[M+H-H2O]+ 513.43936 236.7
[M+HCOO]- 575.44030 246.0
[M+CH3COO]- 589.45595 245.5
[M+Na-2H]- 551.41677 228.3
[M]+ 530.44155 240.1
[M]- 530.44265 240.1
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.