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]+ 129.10224 128.0
[M+Na]+ 151.08418 134.1
[M-H]- 127.08768 128.2
[M+NH4]+ 146.12878 149.2
[M+K]+ 167.05812 132.6
[M+H-H2O]+ 111.09222 122.2
[M+HCOO]- 173.09316 148.3
[M+CH3COO]- 187.10881 170.3
[M+Na-2H]- 149.06963 130.2
[M]+ 128.09441 121.8
[M]- 128.09551 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.