CID 10330086

Refchem:1091163

Structural Information

Molecular Formula
C8H13NO4
SMILES
CC(CC(=O)N[C@H]1CCOC1=O)O
InChI
InChI=1S/C8H13NO4/c1-5(10)4-7(11)9-6-2-3-13-8(6)12/h5-6,10H,2-4H2,1H3,(H,9,11)/t5?,6-/m0/s1
InChIKey
FIXDIFPJOFIIEC-GDVGLLTNSA-N
Compound name
3-hydroxy-N-[(3S)-2-oxooxolan-3-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

159
Patents

187.08446 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.09174 140.6
[M+Na]+ 210.07368 145.7
[M-H]- 186.07718 143.1
[M+NH4]+ 205.11828 159.4
[M+K]+ 226.04762 146.3
[M+H-H2O]+ 170.08172 135.2
[M+HCOO]- 232.08266 161.0
[M+CH3COO]- 246.09831 180.2
[M+Na-2H]- 208.05913 142.8
[M]+ 187.08391 139.2
[M]- 187.08501 139.2
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