CID 105571653

Rac-(3r,4r)-4-methylpyrrolidine-3-carboxamide

Structural Information

Molecular Formula
C6H12N2O
SMILES
C[C@@H]1CNC[C@H]1C(=O)N
InChI
InChI=1S/C6H12N2O/c1-4-2-8-3-5(4)6(7)9/h4-5,8H,2-3H2,1H3,(H2,7,9)/t4-,5-/m1/s1
InChIKey
VIRYDJHNPSFCRR-RFZPGFLSSA-N
Compound name
(3S,4S)-4-methylpyrrolidine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.09496 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.102236 128.0
[M+Na]+ 151.084178 134.1
[M-H]- 127.087684 128.2
[M+NH4]+ 146.128783 149.2
[M+K]+ 167.058118 132.6
[M+H-H2O]+ 111.092220 122.2
[M+HCOO]- 173.093161 148.3
[M+CH3COO]- 187.108811 170.3
[M+Na-2H]- 149.069626 130.2
[M]+ 128.09441142 121.8
[M]- 128.09550858 121.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.