CID 550747

2-acetylpyrrolidine

Structural Information

Molecular Formula
C6H11NO
SMILES
CC(=O)C1CCCN1
InChI
InChI=1S/C6H11NO/c1-5(8)6-3-2-4-7-6/h6-7H,2-4H2,1H3
InChIKey
FYCFJMPASVKULQ-UHFFFAOYSA-N
Compound name
1-pyrrolidin-2-ylethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

464
Patents

113.08406 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.09134 124.4
[M+Na]+ 136.07328 130.4
[M-H]- 112.07678 124.7
[M+NH4]+ 131.11788 146.5
[M+K]+ 152.04722 129.5
[M+H-H2O]+ 96.081320 118.8
[M+HCOO]- 158.08226 144.3
[M+CH3COO]- 172.09791 165.0
[M+Na-2H]- 134.05873 128.0
[M]+ 113.08351 119.6
[M]- 113.08461 119.6
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