CID 166363

72928-13-3

Structural Information

Molecular Formula
C14H22O
SMILES
CC1(CCCC2=C1CC(C(=O)C2)(C)C)C
InChI
InChI=1S/C14H22O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h5-9H2,1-4H3
InChIKey
APWZTNHOEIXMIH-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethyl-4,6,7,8-tetrahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 146.0
[M+Na]+ 229.156288 153.7
[M-H]- 205.159794 150.4
[M+NH4]+ 224.200893 170.6
[M+K]+ 245.130228 151.1
[M+H-H2O]+ 189.164330 141.4
[M+HCOO]- 251.165271 163.4
[M+CH3COO]- 265.180921 189.1
[M+Na-2H]- 227.141736 151.1
[M]+ 206.16652142 143.2
[M]- 206.16761858 143.2
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.