CID 71684661

N-(3-oxo-9z-hexadecenoyl)-homoserine lactone

Structural Information

Molecular Formula
C20H33NO4
SMILES
CCCCCC/C=C\CCCCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C20H33NO4/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(22)16-19(23)21-18-14-15-25-20(18)24/h7-8,18H,2-6,9-16H2,1H3,(H,21,23)/b8-7-/t18-/m0/s1
InChIKey
NNIVINPZTHXZNK-ZEVQVBBLSA-N
Compound name
(Z)-3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.24097 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.24825 192.8
[M+Na]+ 374.23019 193.9
[M-H]- 350.23369 194.5
[M+NH4]+ 369.27479 205.6
[M+K]+ 390.20413 191.2
[M+H-H2O]+ 334.23823 185.3
[M+HCOO]- 396.23917 211.1
[M+CH3COO]- 410.25482 216.4
[M+Na-2H]- 372.21564 189.3
[M]+ 351.24042 196.2
[M]- 351.24152 196.2
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.