CID 11228883

Rac-(2r,4r)-4-chloropyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C5H8ClNO2
SMILES
C1[C@@H](CN[C@@H]1C(=O)O)Cl
InChI
InChI=1S/C5H8ClNO2/c6-3-1-4(5(8)9)7-2-3/h3-4,7H,1-2H2,(H,8,9)/t3-,4-/m0/s1
InChIKey
UYZNMRJCNSDDFV-IMJSIDKUSA-N
Compound name
(2S,4S)-4-chloropyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

35
Patents

149.02435 Da
Monoisotopic Mass

-2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 150.03163 128.9
[M+Na]+ 172.01357 136.6
[M-H]- 148.01707 128.2
[M+NH4]+ 167.05817 149.9
[M+K]+ 187.98751 133.2
[M+H-H2O]+ 132.02161 124.4
[M+HCOO]- 194.02255 143.2
[M+CH3COO]- 208.03820 166.5
[M+Na-2H]- 169.99902 131.4
[M]+ 149.02380 125.4
[M]- 149.02490 125.4
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