CID 85395

N-acetyl-l-prolinamide

Structural Information

Molecular Formula
C7H12N2O2
SMILES
CC(=O)N1CCC[C@H]1C(=O)N
InChI
InChI=1S/C7H12N2O2/c1-5(10)9-4-2-3-6(9)7(8)11/h6H,2-4H2,1H3,(H2,8,11)/t6-/m0/s1
InChIKey
CXURPNUIYCJENH-LURJTMIESA-N
Compound name
(2S)-1-acetylpyrrolidine-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

102
Patents

156.08987 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.09715 134.5
[M+Na]+ 179.07909 141.9
[M+NH4]+ 174.12369 141.1
[M+K]+ 195.05303 140.5
[M-H]- 155.08259 133.8
[M+Na-2H]- 177.06454 136.6
[M]+ 156.08932 134.7
[M]- 156.09042 134.7
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