CID 10130163

67605-85-0

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCCC(=O)N[C@H]1CCOC1=O
InChI
InChI=1S/C8H13NO3/c1-2-3-7(10)9-6-4-5-12-8(6)11/h6H,2-5H2,1H3,(H,9,10)/t6-/m0/s1
InChIKey
VFFNZZXXTGXBOG-LURJTMIESA-N
Compound name
N-[(3S)-2-oxooxolan-3-yl]butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

123
References

856
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.09682 136.8
[M+Na]+ 194.07876 142.8
[M-H]- 170.08226 140.7
[M+NH4]+ 189.12336 157.2
[M+K]+ 210.05270 143.2
[M+H-H2O]+ 154.08680 131.4
[M+HCOO]- 216.08774 159.6
[M+CH3COO]- 230.10339 179.6
[M+Na-2H]- 192.06421 140.7
[M]+ 171.08899 136.5
[M]- 171.09009 136.5
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