CID 10262870

19980-00-8

Structural Information

Molecular Formula
C13H17NO2
SMILES
C1CN(CCC1CO)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C13H17NO2/c15-10-11-6-8-14(9-7-11)13(16)12-4-2-1-3-5-12/h1-5,11,15H,6-10H2
InChIKey
RLTIVBMLQJFUOB-UHFFFAOYSA-N
Compound name
[4-(hydroxymethyl)piperidin-1-yl]-phenylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

219.12593 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.13321 151.2
[M+Na]+ 242.11515 163.0
[M+NH4]+ 237.15975 159.1
[M+K]+ 258.08909 156.5
[M-H]- 218.11865 154.0
[M+Na-2H]- 240.10060 157.8
[M]+ 219.12538 153.5
[M]- 219.12648 153.5
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