CID 3017902

Einecs 273-682-2

Structural Information

Molecular Formula
C14H22O
SMILES
CC(C)(C)C1CCC2=C(C1)CCC(=O)C2
InChI
InChI=1S/C14H22O/c1-14(2,3)12-6-4-11-9-13(15)7-5-10(11)8-12/h12H,4-9H2,1-3H3
InChIKey
OKACDABQAFZGBN-UHFFFAOYSA-N
Compound name
6-tert-butyl-3,4,5,6,7,8-hexahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.16707 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.174346 148.6
[M+Na]+ 229.156288 153.8
[M-H]- 205.159794 152.1
[M+NH4]+ 224.200893 169.0
[M+K]+ 245.130228 151.2
[M+H-H2O]+ 189.164330 143.3
[M+HCOO]- 251.165271 164.4
[M+CH3COO]- 265.180921 188.4
[M+Na-2H]- 227.141736 152.8
[M]+ 206.16652142 144.2
[M]- 206.16761858 144.2
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.