CID 6420671

5562-52-7

Structural Information

Molecular Formula
C12H15NO
SMILES
C1CC(CNC1)C(=O)C2=CC=CC=C2
InChI
InChI=1S/C12H15NO/c14-12(10-5-2-1-3-6-10)11-7-4-8-13-9-11/h1-3,5-6,11,13H,4,7-9H2
InChIKey
TXXOWSICLRODES-UHFFFAOYSA-N
Compound name
phenyl(piperidin-3-yl)methanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

94
Patents

189.11537 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.122646 142.7
[M+Na]+ 212.104588 146.6
[M-H]- 188.108094 145.4
[M+NH4]+ 207.149193 159.4
[M+K]+ 228.078528 143.1
[M+H-H2O]+ 172.112630 135.0
[M+HCOO]- 234.113571 160.0
[M+CH3COO]- 248.129221 179.1
[M+Na-2H]- 210.090036 147.2
[M]+ 189.11482142 135.4
[M]- 189.11591858 135.4
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