CID 71684635

479050-94-7

Structural Information

Molecular Formula
C20H35NO3
SMILES
CCCCCC/C=C\CCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C20H35NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-19(22)21-18-16-17-24-20(18)23/h7-8,18H,2-6,9-17H2,1H3,(H,21,22)/b8-7-/t18-/m0/s1
InChIKey
BDQHAQLGRDSHKW-ZEVQVBBLSA-N
Compound name
(Z)-N-[(3S)-2-oxooxolan-3-yl]hexadec-9-enamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

337.2617 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.26898 190.8
[M+Na]+ 360.25092 192.0
[M-H]- 336.25442 192.4
[M+NH4]+ 355.29552 204.4
[M+K]+ 376.22486 188.9
[M+H-H2O]+ 320.25896 183.2
[M+HCOO]- 382.25990 209.7
[M+CH3COO]- 396.27555 214.3
[M+Na-2H]- 358.23637 188.3
[M]+ 337.26115 194.1
[M]- 337.26225 194.1
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.