CID 74879

2040-10-0

Structural Information

Molecular Formula
C14H20O
SMILES
CC1=CC(=CC(=C1C(=O)C)C)C(C)(C)C
InChI
InChI=1S/C14H20O/c1-9-7-12(14(4,5)6)8-10(2)13(9)11(3)15/h7-8H,1-6H3
InChIKey
JNHLHPMTMTYLCP-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-2,6-dimethylphenyl)ethanone
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1783
Patents

204.15141 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.15869 145.1
[M+Na]+ 227.14063 153.9
[M-H]- 203.14413 149.6
[M+NH4]+ 222.18523 165.4
[M+K]+ 243.11457 151.8
[M+H-H2O]+ 187.14867 140.4
[M+HCOO]- 249.14961 166.0
[M+CH3COO]- 263.16526 191.6
[M+Na-2H]- 225.12608 148.4
[M]+ 204.15086 147.7
[M]- 204.15196 147.7
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