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]+ 222.11248 149.7
[M+Na]+ 244.09442 155.3
[M-H]- 220.09792 150.9
[M+NH4]+ 239.13902 166.1
[M+K]+ 260.06836 151.3
[M+H-H2O]+ 204.10246 143.1
[M+HCOO]- 266.10340 166.6
[M+CH3COO]- 280.11905 180.2
[M+Na-2H]- 242.07987 150.3
[M]+ 221.10465 144.6
[M]- 221.10575 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.