CID 12858703

Deesterified lactam

Structural Information

Molecular Formula
C13H17NO3
SMILES
C1CCNC(C1)C(C2=CC=C(C=C2)O)C(=O)O
InChI
InChI=1S/C13H17NO3/c15-10-6-4-9(5-7-10)12(13(16)17)11-3-1-2-8-14-11/h4-7,11-12,14-15H,1-3,8H2,(H,16,17)
InChIKey
RONUHFNRYTWMCI-UHFFFAOYSA-N
Compound name
2-(4-hydroxyphenyl)-2-piperidin-2-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

9
Patents

235.12085 Da
Monoisotopic Mass

-2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 153.9
[M+Na]+ 258.11007 157.0
[M-H]- 234.11357 154.2
[M+NH4]+ 253.15467 167.4
[M+K]+ 274.08401 153.3
[M+H-H2O]+ 218.11811 146.7
[M+HCOO]- 280.11905 167.3
[M+CH3COO]- 294.13470 183.5
[M+Na-2H]- 256.09552 155.1
[M]+ 235.12030 146.1
[M]- 235.12140 146.1
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

patents stripe