CID 2762111

1807940-40-4

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1[C@H]([C@@H](CN1)C(=O)O)C2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H12ClNO2/c12-8-3-1-7(2-4-8)9-5-13-6-10(9)11(14)15/h1-4,9-10,13H,5-6H2,(H,14,15)/t9-,10+/m0/s1
InChIKey
UOAQYJHCQPXLOP-VHSXEESVSA-N
Compound name
(3S,4R)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

135
Patents

225.05565 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.062926 148.4
[M+Na]+ 248.044868 155.8
[M-H]- 224.048374 150.9
[M+NH4]+ 243.089473 166.3
[M+K]+ 264.018808 150.4
[M+H-H2O]+ 208.052910 142.5
[M+HCOO]- 270.053851 162.3
[M+CH3COO]- 284.069501 181.3
[M+Na-2H]- 246.030316 149.4
[M]+ 225.05510142 145.4
[M]- 225.05619858 145.4
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