CID 82616720

5-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid hydrochloride

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CC(NC1CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-10-4-1-8(2-5-10)7-9-3-6-11(13-9)12(15)16/h1-2,4-5,9,11,13-14H,3,6-7H2,(H,15,16)
InChIKey
HZFALGIPQCZOPU-UHFFFAOYSA-N
Compound name
5-[(4-hydroxyphenyl)methyl]pyrrolidine-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.1052 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.112476 149.7
[M+Na]+ 244.094418 155.3
[M-H]- 220.097924 150.9
[M+NH4]+ 239.139023 166.1
[M+K]+ 260.068358 151.3
[M+H-H2O]+ 204.102460 143.1
[M+HCOO]- 266.103401 166.6
[M+CH3COO]- 280.119051 180.2
[M+Na-2H]- 242.079866 150.3
[M]+ 221.10465142 144.6
[M]- 221.10574858 144.6
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.