CID 155822757

2567502-86-5

Structural Information

Molecular Formula
C12H13Cl2NO2
SMILES
COC(=O)C1(CCNC1)C2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C12H13Cl2NO2/c1-17-11(16)12(4-5-15-7-12)8-2-3-9(13)10(14)6-8/h2-3,6,15H,4-5,7H2,1H3
InChIKey
XBYLLSXBKXWFPO-UHFFFAOYSA-N
Compound name
methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

273.03235 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.03963 156.3
[M+Na]+ 296.02157 168.9
[M+NH4]+ 291.06617 165.8
[M+K]+ 311.99551 161.9
[M-H]- 272.02507 158.2
[M+Na-2H]- 294.00702 163.5
[M]+ 273.03180 159.2
[M]- 273.03290 159.2
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

No patent data available for this compound.