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
2
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]+ 209.18999 150.6
[M+Na]+ 231.17193 161.9
[M+NH4]+ 226.21653 163.3
[M+K]+ 247.14587 150.9
[M-H]- 207.17543 153.7
[M+Na-2H]- 229.15738 157.1
[M]+ 208.18216 153.4
[M]- 208.18326 153.4
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.