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]+ 222.11248 148.8
[M+Na]+ 244.09442 155.4
[M-H]- 220.09792 152.8
[M+NH4]+ 239.13902 166.8
[M+K]+ 260.06836 153.2
[M+H-H2O]+ 204.10246 141.8
[M+HCOO]- 266.10340 168.8
[M+CH3COO]- 280.11905 184.4
[M+Na-2H]- 242.07987 150.4
[M]+ 221.10465 147.4
[M]- 221.10575 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.