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

31
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 213.6
[M+Na]+ 433.34005 211.2
[M-H]- 409.34355 208.6
[M+NH4]+ 428.38465 218.3
[M+K]+ 449.31399 206.5
[M+H-H2O]+ 393.34809 205.0
[M+HCOO]- 455.34903 222.3
[M+CH3COO]- 469.36468 232.3
[M+Na-2H]- 431.32550 206.5
[M]+ 410.35028 217.0
[M]- 410.35138 217.0
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