CID 15157505

1-(4-chlorophenyl)pyrrolidine-2-carboxylicacid

Structural Information

Molecular Formula
C11H12ClNO2
SMILES
C1CC(N(C1)C2=CC=C(C=C2)Cl)C(=O)O
InChI
InChI=1S/C11H12ClNO2/c12-8-3-5-9(6-4-8)13-7-1-2-10(13)11(14)15/h3-6,10H,1-2,7H2,(H,14,15)
InChIKey
FQEIGKACEFDJKI-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

225.05565 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.06293 147.9
[M+Na]+ 248.04487 155.8
[M-H]- 224.04837 151.9
[M+NH4]+ 243.08947 166.6
[M+K]+ 264.01881 151.3
[M+H-H2O]+ 208.05291 141.7
[M+HCOO]- 270.05385 163.4
[M+CH3COO]- 284.06950 183.8
[M+Na-2H]- 246.03032 149.4
[M]+ 225.05510 146.8
[M]- 225.05620 146.8
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