CID 89437

21129-27-1

Structural Information

Molecular Formula
C10H20O
SMILES
CC(C)C1CCC(CC1)(C)O
InChI
InChI=1S/C10H20O/c1-8(2)9-4-6-10(3,11)7-5-9/h8-9,11H,4-7H2,1-3H3
InChIKey
CMLYGGFIXXLYQT-UHFFFAOYSA-N
Compound name
1-methyl-4-propan-2-ylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

1065
Patents

156.15141 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.1
[M+Na]+ 179.140628 142.2
[M-H]- 155.144134 138.9
[M+NH4]+ 174.185233 159.6
[M+K]+ 195.114568 141.2
[M+H-H2O]+ 139.148670 133.0
[M+HCOO]- 201.149611 154.7
[M+CH3COO]- 215.165261 176.4
[M+Na-2H]- 177.126076 140.6
[M]+ 156.15086142 132.7
[M]- 156.15195858 132.7
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