CID 114559

Cyclohexanepropanol, alpha,2,2-trimethyl-6-methylene-

Structural Information

Molecular Formula
C13H24O
SMILES
CC(CCC1C(=C)CCCC1(C)C)O
InChI
InChI=1S/C13H24O/c1-10-6-5-9-13(3,4)12(10)8-7-11(2)14/h11-12,14H,1,5-9H2,2-4H3
InChIKey
XYSOCYCFJHMQON-UHFFFAOYSA-N
Compound name
4-(2,2-dimethyl-6-methylidenecyclohexyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

10
Patents

196.18271 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.18999 147.9
[M+Na]+ 219.17193 152.9
[M-H]- 195.17543 149.5
[M+NH4]+ 214.21653 168.9
[M+K]+ 235.14587 150.6
[M+H-H2O]+ 179.17997 143.6
[M+HCOO]- 241.18091 164.7
[M+CH3COO]- 255.19656 185.7
[M+Na-2H]- 217.15738 149.2
[M]+ 196.18216 144.2
[M]- 196.18326 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

patents stripe