CID 2762111

Rac-(3r,4s)-4-(4-chlorophenyl)pyrrolidine-3-carboxylic acid hydrochloride

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

143
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 148.4
[M+Na]+ 248.04487 155.8
[M-H]- 224.04837 150.9
[M+NH4]+ 243.08947 166.3
[M+K]+ 264.01881 150.4
[M+H-H2O]+ 208.05291 142.5
[M+HCOO]- 270.05385 162.3
[M+CH3COO]- 284.06950 181.3
[M+Na-2H]- 246.03032 149.4
[M]+ 225.05510 145.4
[M]- 225.05620 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