CID 1512685

Rac-(3r,4r)-4-methylpyrrolidine-3-carboxylic acid

Structural Information

Molecular Formula
C6H11NO2
SMILES
C[C@@H]1CNC[C@H]1C(=O)O
InChI
InChI=1S/C6H11NO2/c1-4-2-7-3-5(4)6(8)9/h4-5,7H,2-3H2,1H3,(H,8,9)/t4-,5-/m1/s1
InChIKey
FLYSYPZJEXSTBV-RFZPGFLSSA-N
Compound name
(3S,4S)-4-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

129.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.086256 127.5
[M+Na]+ 152.068198 134.0
[M-H]- 128.071704 126.8
[M+NH4]+ 147.112803 148.5
[M+K]+ 168.042138 132.5
[M+H-H2O]+ 112.076240 122.3
[M+HCOO]- 174.077181 146.1
[M+CH3COO]- 188.092831 165.6
[M+Na-2H]- 150.053646 129.9
[M]+ 129.07843142 122.7
[M]- 129.07952858 122.7
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

patents stripe