CID 5122964

1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethan-1-one

Structural Information

Molecular Formula
C13H17NO2
SMILES
CC(=O)C1=CC=C(C=C1)N2CCC(CC2)O
InChI
InChI=1S/C13H17NO2/c1-10(15)11-2-4-12(5-3-11)14-8-6-13(16)7-9-14/h2-5,13,16H,6-9H2,1H3
InChIKey
QIRDRCRLHRQMQT-UHFFFAOYSA-N
Compound name
1-[4-(4-hydroxypiperidin-1-yl)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

219.12593 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.133206 149.9
[M+Na]+ 242.115148 155.2
[M-H]- 218.118654 153.3
[M+NH4]+ 237.159753 166.0
[M+K]+ 258.089088 152.1
[M+H-H2O]+ 202.123190 142.4
[M+HCOO]- 264.124131 167.1
[M+CH3COO]- 278.139781 186.5
[M+Na-2H]- 240.100596 152.4
[M]+ 219.12538142 145.3
[M]- 219.12647858 145.3
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