CID 171120640

N6-goshuyoyl lysine

Structural Information

Molecular Formula
C20H36N2O3
SMILES
CCCCC/C=C\C/C=C\CCCC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C20H36N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-16-19(23)22-17-14-13-15-18(21)20(24)25/h6-7,9-10,18H,2-5,8,11-17,21H2,1H3,(H,22,23)(H,24,25)/b7-6-,10-9-/t18-/m0/s1
InChIKey
NTSAFUHUIQREBF-RKRHOQAZSA-N
Compound name
(2S)-2-amino-6-[[(5Z,8Z)-tetradeca-5,8-dienoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

352.27258 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 353.27986 195.3
[M+Na]+ 375.26180 195.0
[M-H]- 351.26530 191.1
[M+NH4]+ 370.30640 206.4
[M+K]+ 391.23574 190.6
[M+H-H2O]+ 335.26984 187.5
[M+HCOO]- 397.27078 212.8
[M+CH3COO]- 411.28643 219.1
[M+Na-2H]- 373.24725 190.2
[M]+ 352.27203 196.4
[M]- 352.27313 196.4
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.