CID 25076629

Einecs 304-883-6

Structural Information

Molecular Formula
C13H24O
SMILES
CC1C=C(CCC1C(C(C)(C)C)O)C
InChI
InChI=1S/C13H24O/c1-9-6-7-11(10(2)8-9)12(14)13(3,4)5/h8,10-12,14H,6-7H2,1-5H3
InChIKey
UMOGODYPTSXWLH-UHFFFAOYSA-N
Compound name
1-(2,4-dimethylcyclohex-3-en-1-yl)-2,2-dimethylpropan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

196.18271 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.189986 147.8
[M+Na]+ 219.171928 153.3
[M-H]- 195.175434 149.8
[M+NH4]+ 214.216533 167.3
[M+K]+ 235.145868 151.5
[M+H-H2O]+ 179.179970 143.2
[M+HCOO]- 241.180911 164.4
[M+CH3COO]- 255.196561 186.4
[M+Na-2H]- 217.157376 149.7
[M]+ 196.18216142 145.5
[M]- 196.18325858 145.5
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.