CID 83080495

2095410-53-8

Structural Information

Molecular Formula
C12H15NO3
SMILES
C1CC(NC1)(CC2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C12H15NO3/c14-10-4-2-9(3-5-10)8-12(11(15)16)6-1-7-13-12/h2-5,13-14H,1,6-8H2,(H,15,16)
InChIKey
HOCWELHHUBETFC-UHFFFAOYSA-N
Compound name
2-[(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

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.11248 150.6
[M+Na]+ 244.09442 159.9
[M+NH4]+ 239.13902 158.6
[M+K]+ 260.06836 155.3
[M-H]- 220.09792 151.0
[M+Na-2H]- 242.07987 156.3
[M]+ 221.10465 151.8
[M]- 221.10575 151.8
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.