CID 166357

72927-88-9

Structural Information

Molecular Formula
C14H24O
SMILES
CC1(CCCC2C1CC(C(=O)C2)(C)C)C
InChI
InChI=1S/C14H24O/c1-13(2)7-5-6-10-8-12(15)14(3,4)9-11(10)13/h10-11H,5-9H2,1-4H3
InChIKey
DGPIAHAFWKJURE-UHFFFAOYSA-N
Compound name
3,3,5,5-tetramethyl-4,4a,6,7,8,8a-hexahydro-1H-naphthalen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

0
Patents

208.18271 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.189986 147.9
[M+Na]+ 231.171928 154.5
[M-H]- 207.175434 151.9
[M+NH4]+ 226.216533 172.3
[M+K]+ 247.145868 152.1
[M+H-H2O]+ 191.179970 143.4
[M+HCOO]- 253.180911 163.7
[M+CH3COO]- 267.196561 189.6
[M+Na-2H]- 229.157376 151.9
[M]+ 208.18216142 143.6
[M]- 208.18325858 143.6
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.