CID 322598

1-methylpyrrolidine-3-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C6H11NO2
SMILES
CN1CCC(C1)C(=O)O
InChI
InChI=1S/C6H11NO2/c1-7-3-2-5(4-7)6(8)9/h5H,2-4H2,1H3,(H,8,9)
InChIKey
LJGFIWDOHOWUOY-UHFFFAOYSA-N
Compound name
1-methylpyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

536
Patents

129.07898 Da
Monoisotopic Mass

-2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 130.08626 126.5
[M+Na]+ 152.06820 133.5
[M-H]- 128.07170 127.3
[M+NH4]+ 147.11280 148.3
[M+K]+ 168.04214 132.9
[M+H-H2O]+ 112.07624 121.1
[M+HCOO]- 174.07718 146.6
[M+CH3COO]- 188.09283 168.2
[M+Na-2H]- 150.05365 129.5
[M]+ 129.07843 123.6
[M]- 129.07953 123.6
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