CID 87767835

N-oleoyl-l-lysine zwitterion

Structural Information

Molecular Formula
C24H46N2O3
SMILES
CCCCCCCC/C=C\CCCCCCCC(=O)N[C@@H](CCCCN)C(=O)O
InChI
InChI=1S/C24H46N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-20-23(27)26-22(24(28)29)19-17-18-21-25/h9-10,22H,2-8,11-21,25H2,1H3,(H,26,27)(H,28,29)/b10-9-/t22-/m0/s1
InChIKey
JJUHWJQHBPFMJW-DYYZXQNHSA-N
Compound name
(2S)-6-amino-2-[[(Z)-octadec-9-enoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

19
Patents

410.35083 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 411.35811 211.6
[M+Na]+ 433.34005 213.7
[M+NH4]+ 428.38465 221.1
[M+K]+ 449.31399 222.9
[M-H]- 409.34355 214.1
[M+Na-2H]- 431.32550 207.6
[M]+ 410.35028 210.0
[M]- 410.35138 210.0
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

patents stripe