CID 58122267

N-[(3s)-2-oxooxolan-3-yl]tetradecanamide

Structural Information

Molecular Formula
C18H33NO3
SMILES
CCCCCCCCCCCCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C18H33NO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-17(20)19-16-14-15-22-18(16)21/h16H,2-15H2,1H3,(H,19,20)/t16-/m0/s1
InChIKey
ZQAYHOXXVBVXPZ-INIZCTEOSA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

114
Patents

311.24603 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.253306 182.9
[M+Na]+ 334.235248 184.6
[M-H]- 310.238754 184.8
[M+NH4]+ 329.279853 197.6
[M+K]+ 350.209188 182.5
[M+H-H2O]+ 294.243290 175.6
[M+HCOO]- 356.244231 202.3
[M+CH3COO]- 370.259881 209.8
[M+Na-2H]- 332.220696 181.5
[M]+ 311.24548142 186.2
[M]- 311.24657858 186.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe