CID 166894

13720-37-1

Structural Information

Molecular Formula
C13H24O
SMILES
CC1=CCCC(C1CCC(C)O)(C)C
InChI
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h6,11-12,14H,5,7-9H2,1-4H3
InChIKey
OTXZMHLBFXFVPP-UHFFFAOYSA-N
Compound name
4-(2,6,6-trimethylcyclohex-2-en-1-yl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

34
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 147.5
[M+Na]+ 219.171928 153.3
[M-H]- 195.175434 149.5
[M+NH4]+ 214.216533 168.8
[M+K]+ 235.145868 151.3
[M+H-H2O]+ 179.179970 143.1
[M+HCOO]- 241.180911 165.6
[M+CH3COO]- 255.196561 186.2
[M+Na-2H]- 217.157376 149.7
[M]+ 196.18216142 146.0
[M]- 196.18325858 146.0
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

patents stripe