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]+ 236.128126 153.5
[M+Na]+ 258.110068 159.7
[M-H]- 234.113574 157.3
[M+NH4]+ 253.154673 172.6
[M+K]+ 274.084008 157.4
[M+H-H2O]+ 218.118110 146.8
[M+HCOO]- 280.119051 173.2
[M+CH3COO]- 294.134701 185.8
[M+Na-2H]- 256.095516 156.4
[M]+ 235.12030142 152.4
[M]- 235.12139858 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.