CID 172425

Cyclohexanepropanol, alpha,2,2,6-tetramethyl-, monomethyl deriv.

Structural Information

Molecular Formula
C14H28O
SMILES
CC1CCCC(C1(C)CCC(C)O)(C)C
InChI
InChI=1S/C14H28O/c1-11-7-6-9-13(3,4)14(11,5)10-8-12(2)15/h11-12,15H,6-10H2,1-5H3
InChIKey
SHCTYLXMPITNTE-UHFFFAOYSA-N
Compound name
4-(1,2,2,6-tetramethylcyclohexyl)butan-2-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

212.21402 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.221296 151.7
[M+Na]+ 235.203238 157.0
[M-H]- 211.206744 153.5
[M+NH4]+ 230.247843 174.3
[M+K]+ 251.177178 155.3
[M+H-H2O]+ 195.211280 148.2
[M+HCOO]- 257.212221 168.0
[M+CH3COO]- 271.227871 189.4
[M+Na-2H]- 233.188686 153.8
[M]+ 212.21347142 149.6
[M]- 212.21456858 149.6
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.