CID 82127203

1266893-49-5

Structural Information

Molecular Formula
C14H19NO
SMILES
CC(C)C1=CC=C(C=C1)C2CCCNC2=O
InChI
InChI=1S/C14H19NO/c1-10(2)11-5-7-12(8-6-11)13-4-3-9-15-14(13)16/h5-8,10,13H,3-4,9H2,1-2H3,(H,15,16)
InChIKey
WMQWARAWWGWKHT-UHFFFAOYSA-N
Compound name
3-(4-propan-2-ylphenyl)piperidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

217.14667 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 218.15395 151.2
[M+Na]+ 240.13589 156.2
[M-H]- 216.13939 154.4
[M+NH4]+ 235.18049 167.5
[M+K]+ 256.10983 152.3
[M+H-H2O]+ 200.14393 143.7
[M+HCOO]- 262.14487 167.9
[M+CH3COO]- 276.16052 187.4
[M+Na-2H]- 238.12134 153.2
[M]+ 217.14612 145.5
[M]- 217.14722 145.5
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

No patent data available for this compound.