CID 178244150

1-chloro-2-methylpyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C6H10ClNO2
SMILES
CC1(CCCN1Cl)C(=O)O
InChI
InChI=1S/C6H10ClNO2/c1-6(5(9)10)3-2-4-8(6)7/h2-4H2,1H3,(H,9,10)
InChIKey
DCCNUVKJFBCLCV-UHFFFAOYSA-N
Compound name
1-chloro-2-methylpyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

163.04001 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 164.047286 130.9
[M+Na]+ 186.029228 139.5
[M-H]- 162.032734 131.8
[M+NH4]+ 181.073833 154.1
[M+K]+ 202.003168 137.0
[M+H-H2O]+ 146.037270 127.1
[M+HCOO]- 208.038211 146.5
[M+CH3COO]- 222.053861 171.6
[M+Na-2H]- 184.014676 134.7
[M]+ 163.03946142 130.0
[M]- 163.04055858 130.0
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.