CID 1092975

106261-47-6

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CCN(CC1)CC2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C13H17NO2/c15-13(16)12-6-4-11(5-7-12)10-14-8-2-1-3-9-14/h4-7H,1-3,8-10H2,(H,15,16)
InChIKey
RNCCMTVMMFUIKR-UHFFFAOYSA-N
Compound name
4-(piperidin-1-ylmethyl)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

41
Patents

219.12593 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.0
[M+Na]+ 242.11515 162.8
[M+NH4]+ 237.15975 159.0
[M+K]+ 258.08909 156.3
[M-H]- 218.11865 153.8
[M+Na-2H]- 240.10060 157.6
[M]+ 219.12538 153.3
[M]- 219.12648 153.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe