CID 131348795

Methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C12H14ClNO2
SMILES
COC(=O)C1(CCNC1)C2=CC(=CC=C2)Cl
InChI
InChI=1S/C12H14ClNO2/c1-16-11(15)12(5-6-14-8-12)9-3-2-4-10(13)7-9/h2-4,7,14H,5-6,8H2,1H3
InChIKey
LRWPIPRIYXEVCG-UHFFFAOYSA-N
Compound name
methyl 3-(3-chlorophenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.0713 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.07858 152.3
[M+Na]+ 262.06052 159.9
[M-H]- 238.06402 156.1
[M+NH4]+ 257.10512 172.2
[M+K]+ 278.03446 155.3
[M+H-H2O]+ 222.06856 146.4
[M+HCOO]- 284.06950 167.5
[M+CH3COO]- 298.08515 184.5
[M+Na-2H]- 260.04597 155.1
[M]+ 239.07075 151.3
[M]- 239.07185 151.3
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.