CID 443433

Pai-2

Structural Information

Molecular Formula
C8H13NO3
SMILES
CCCC(=O)NC1CCOC1=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)
InChIKey
VFFNZZXXTGXBOG-UHFFFAOYSA-N
Compound name
N-(2-oxooxolan-3-yl)butanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

117
References

1001
Patents

171.08954 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.096816 136.8
[M+Na]+ 194.078758 142.8
[M-H]- 170.082264 140.7
[M+NH4]+ 189.123363 157.2
[M+K]+ 210.052698 143.2
[M+H-H2O]+ 154.086800 131.4
[M+HCOO]- 216.087741 159.6
[M+CH3COO]- 230.103391 179.6
[M+Na-2H]- 192.064206 140.7
[M]+ 171.08899142 136.5
[M]- 171.09008858 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.