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
1
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]+ 213.22130 151.7
[M+Na]+ 235.20324 157.0
[M-H]- 211.20674 153.5
[M+NH4]+ 230.24784 174.3
[M+K]+ 251.17718 155.3
[M+H-H2O]+ 195.21128 148.2
[M+HCOO]- 257.21222 168.0
[M+CH3COO]- 271.22787 189.4
[M+Na-2H]- 233.18869 153.8
[M]+ 212.21347 149.6
[M]- 212.21457 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.