CID 138990953

Methyl 3-(4-methoxyphenyl)pyrrolidine-3-carboxylate hydrochloride

Structural Information

Molecular Formula
C13H17NO3
SMILES
COC1=CC=C(C=C1)C2(CCNC2)C(=O)OC
InChI
InChI=1S/C13H17NO3/c1-16-11-5-3-10(4-6-11)13(12(15)17-2)7-8-14-9-13/h3-6,14H,7-9H2,1-2H3
InChIKey
DILSRMYBSJBQLR-UHFFFAOYSA-N
Compound name
methyl 3-(4-methoxyphenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.5
[M+Na]+ 258.11007 159.7
[M-H]- 234.11357 157.3
[M+NH4]+ 253.15467 172.6
[M+K]+ 274.08401 157.4
[M+H-H2O]+ 218.11811 146.8
[M+HCOO]- 280.11905 173.2
[M+CH3COO]- 294.13470 185.8
[M+Na-2H]- 256.09552 156.4
[M]+ 235.12030 152.4
[M]- 235.12140 152.4
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

No patent data available for this compound.