CID 171120641

N6-physeteroyl lysine

Structural Information

Molecular Formula
C20H38N2O3
SMILES
CCCCCCCC/C=C\CCCC(=O)NCCCC[C@@H](C(=O)O)N
InChI
InChI=1S/C20H38N2O3/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/h9-10,18H,2-8,11-17,21H2,1H3,(H,22,23)(H,24,25)/b10-9-/t18-/m0/s1
InChIKey
NHSCEIYMYOJZKZ-LPADLIQXSA-N
Compound name
(2S)-2-amino-6-[[(Z)-tetradec-5-enoyl]amino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

354.28824 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 355.29552 196.5
[M+Na]+ 377.27746 195.8
[M-H]- 353.28096 192.3
[M+NH4]+ 372.32206 207.6
[M+K]+ 393.25140 192.0
[M+H-H2O]+ 337.28550 188.6
[M+HCOO]- 399.28644 213.8
[M+CH3COO]- 413.30209 220.5
[M+Na-2H]- 375.26291 191.4
[M]+ 354.28769 198.5
[M]- 354.28879 198.5
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.