CID 688505

143537-62-6

Structural Information

Molecular Formula
C10H15NO4
SMILES
CCCC(=O)CC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C10H15NO4/c1-2-3-7(12)6-9(13)11-8-4-5-15-10(8)14/h8H,2-6H2,1H3,(H,11,13)/t8-/m0/s1
InChIKey
YRYOXRMDHALAFL-QMMMGPOBSA-N
Compound name
3-oxo-N-[(3S)-2-oxooxolan-3-yl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

133
References

845
Patents

213.10011 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 214.10739 147.9
[M+Na]+ 236.08933 153.0
[M-H]- 212.09283 151.5
[M+NH4]+ 231.13393 166.4
[M+K]+ 252.06327 153.3
[M+H-H2O]+ 196.09737 142.1
[M+HCOO]- 258.09831 169.4
[M+CH3COO]- 272.11396 187.9
[M+Na-2H]- 234.07478 149.7
[M]+ 213.09956 148.5
[M]- 213.10066 148.5
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