CID 90940

1-(2-chloroacetyl)pyrrolidine-2-carboxylic acid

Structural Information

Molecular Formula
C7H10ClNO3
SMILES
C1CC(N(C1)C(=O)CCl)C(=O)O
InChI
InChI=1S/C7H10ClNO3/c8-4-6(10)9-3-1-2-5(9)7(11)12/h5H,1-4H2,(H,11,12)
InChIKey
LXDUOIDIFSKLNB-UHFFFAOYSA-N
Compound name
1-(2-chloroacetyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

29
Patents

191.03493 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.04221 138.8
[M+Na]+ 214.02415 146.1
[M-H]- 190.02765 139.4
[M+NH4]+ 209.06875 158.8
[M+K]+ 229.99809 143.6
[M+H-H2O]+ 174.03219 133.9
[M+HCOO]- 236.03313 153.5
[M+CH3COO]- 250.04878 176.5
[M+Na-2H]- 212.00960 139.7
[M]+ 191.03438 138.1
[M]- 191.03548 138.1
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