CID 70266

1-acetyl-2-pyrrolidone

Structural Information

Molecular Formula
C6H9NO2
SMILES
CC(=O)N1CCCC1=O
InChI
InChI=1S/C6H9NO2/c1-5(8)7-4-2-3-6(7)9/h2-4H2,1H3
InChIKey
YLHUPYSUKYAIBW-UHFFFAOYSA-N
Compound name
1-acetylpyrrolidin-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

3787
Patents

127.06333 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.07061 126.3
[M+Na]+ 150.05255 135.9
[M+NH4]+ 145.09715 133.9
[M+K]+ 166.02649 133.2
[M-H]- 126.05605 125.9
[M+Na-2H]- 148.03800 129.8
[M]+ 127.06278 127.1
[M]- 127.06388 127.1
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