CID 18347825

1,2-dimethylpyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C7H13NO2
SMILES
CC1C(CCN1C)C(=O)O
InChI
InChI=1S/C7H13NO2/c1-5-6(7(9)10)3-4-8(5)2/h5-6H,3-4H2,1-2H3,(H,9,10)
InChIKey
FBSOOQHWDCAIRW-UHFFFAOYSA-N
Compound name
1,2-dimethylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

143.09464 Da
Monoisotopic Mass

-1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.10192 130.3
[M+Na]+ 166.08386 137.8
[M-H]- 142.08736 131.3
[M+NH4]+ 161.12846 151.9
[M+K]+ 182.05780 137.0
[M+H-H2O]+ 126.09190 125.1
[M+HCOO]- 188.09284 150.1
[M+CH3COO]- 202.10849 172.4
[M+Na-2H]- 164.06931 132.2
[M]+ 143.09409 128.2
[M]- 143.09519 128.2
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