CID 155822757

Methyl 3-(3,4-dichlorophenyl)pyrrolidine-3-carboxylate hydrochloride

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 157.3
[M+Na]+ 296.02157 166.1
[M-H]- 272.02507 160.7
[M+NH4]+ 291.06617 176.5
[M+K]+ 311.99551 160.1
[M+H-H2O]+ 256.02961 152.1
[M+HCOO]- 318.03055 167.4
[M+CH3COO]- 332.04620 190.2
[M+Na-2H]- 294.00702 158.8
[M]+ 273.03180 157.7
[M]- 273.03290 157.7
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.