CID 2762111

1049727-79-8

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

164
Patents

225.05565 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.7
[M+Na]+ 248.04487 159.4
[M+NH4]+ 243.08947 155.6
[M+K]+ 264.01881 155.2
[M-H]- 224.04837 149.3
[M+Na-2H]- 246.03032 153.1
[M]+ 225.05510 149.9
[M]- 225.05620 149.9
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