CID 18794179

2-phenyl-2-(piperidin-4-yl)acetic acid hydrochloride

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CNCCC1C(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)12(10-4-2-1-3-5-10)11-6-8-14-9-7-11/h1-5,11-12,14H,6-9H2,(H,15,16)
InChIKey
UHLKVWIBIPNNPG-UHFFFAOYSA-N
Compound name
2-phenyl-2-piperidin-4-ylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

219.12593 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 150.8
[M+Na]+ 242.115148 153.4
[M-H]- 218.118654 152.0
[M+NH4]+ 237.159753 165.4
[M+K]+ 258.089088 149.9
[M+H-H2O]+ 202.123190 143.2
[M+HCOO]- 264.124131 165.4
[M+CH3COO]- 278.139781 182.6
[M+Na-2H]- 240.100596 153.1
[M]+ 219.12538142 142.9
[M]- 219.12647858 142.9
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