CID 28369725

1-(4-tert-butylphenyl)piperidin-4-one

Structural Information

Molecular Formula
C15H21NO
SMILES
CC(C)(C)C1=CC=C(C=C1)N2CCC(=O)CC2
InChI
InChI=1S/C15H21NO/c1-15(2,3)12-4-6-13(7-5-12)16-10-8-14(17)9-11-16/h4-7H,8-11H2,1-3H3
InChIKey
ZDJNXGXXRPPPKC-UHFFFAOYSA-N
Compound name
1-(4-tert-butylphenyl)piperidin-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

231.16231 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.2
[M+Na]+ 254.15153 161.0
[M-H]- 230.15503 159.9
[M+NH4]+ 249.19613 171.9
[M+K]+ 270.12547 157.8
[M+H-H2O]+ 214.15957 147.7
[M+HCOO]- 276.16051 172.5
[M+CH3COO]- 290.17616 191.8
[M+Na-2H]- 252.13698 159.1
[M]+ 231.16176 151.8
[M]- 231.16286 151.8
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

patents stripe