CID 138531

1-cyclohexyl-2-methyl-2-propanol

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)(CC1CCCCC1)O
InChI
InChI=1S/C10H20O/c1-10(2,11)8-9-6-4-3-5-7-9/h9,11H,3-8H2,1-2H3
InChIKey
XRIXVTPYOOVPIX-UHFFFAOYSA-N
Compound name
1-cyclohexyl-2-methylpropan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

251
Patents

156.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.9
[M+Na]+ 179.140628 141.8
[M-H]- 155.144134 139.1
[M+NH4]+ 174.185233 158.1
[M+K]+ 195.114568 140.4
[M+H-H2O]+ 139.148670 133.1
[M+HCOO]- 201.149611 154.9
[M+CH3COO]- 215.165261 175.2
[M+Na-2H]- 177.126076 142.7
[M]+ 156.15086142 133.0
[M]- 156.15195858 133.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe