CID 522715

3-acetamidopyrrolidine

Structural Information

Molecular Formula
C6H12N2O
SMILES
CC(=O)NC1CCNC1
InChI
InChI=1S/C6H12N2O/c1-5(9)8-6-2-3-7-4-6/h6-7H,2-4H2,1H3,(H,8,9)
InChIKey
HDCCJUCOIKLZNM-UHFFFAOYSA-N
Compound name
N-pyrrolidin-3-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1891
Patents

128.09496 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.10224 128.3
[M+Na]+ 151.08418 136.1
[M+NH4]+ 146.12878 135.8
[M+K]+ 167.05812 133.5
[M-H]- 127.08768 128.3
[M+Na-2H]- 149.06963 131.6
[M]+ 128.09441 128.8
[M]- 128.09551 128.8
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