CID 131487147

Methyl 1-(2-hydroxyphenyl)pyrrolidine-3-carboxylate

Structural Information

Molecular Formula
C12H15NO3
SMILES
COC(=O)C1CCN(C1)C2=CC=CC=C2O
InChI
InChI=1S/C12H15NO3/c1-16-12(15)9-6-7-13(8-9)10-4-2-3-5-11(10)14/h2-5,9,14H,6-8H2,1H3
InChIKey
PGNVHRHVRBFCNO-UHFFFAOYSA-N
Compound name
methyl 1-(2-hydroxyphenyl)pyrrolidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 148.8
[M+Na]+ 244.094418 155.4
[M-H]- 220.097924 152.8
[M+NH4]+ 239.139023 166.8
[M+K]+ 260.068358 153.2
[M+H-H2O]+ 204.102460 141.8
[M+HCOO]- 266.103401 168.8
[M+CH3COO]- 280.119051 184.4
[M+Na-2H]- 242.079866 150.4
[M]+ 221.10465142 147.4
[M]- 221.10574858 147.4
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.