CID 66141

N-acetyl-l-proline

Structural Information

Molecular Formula
C7H11NO3
SMILES
CC(=O)N1CCC[C@H]1C(=O)O
InChI
InChI=1S/C7H11NO3/c1-5(9)8-4-2-3-6(8)7(10)11/h6H,2-4H2,1H3,(H,10,11)/t6-/m0/s1
InChIKey
GNMSLDIYJOSUSW-LURJTMIESA-N
Compound name
(2S)-1-acetylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

40
References

2170
Patents

157.0739 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.08118 132.9
[M+Na]+ 180.06312 139.5
[M-H]- 156.06662 133.7
[M+NH4]+ 175.10772 153.4
[M+K]+ 196.03706 139.1
[M+H-H2O]+ 140.07116 127.4
[M+HCOO]- 202.07210 152.2
[M+CH3COO]- 216.08775 172.6
[M+Na-2H]- 178.04857 134.3
[M]+ 157.07335 130.4
[M]- 157.07445 130.4
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