CID 73815131

1-cyclopropyl-4-methyl-1,3-cyclohexanediol

Structural Information

Molecular Formula
C10H18O2
SMILES
CC1CCC(CC1O)(C2CC2)O
InChI
InChI=1S/C10H18O2/c1-7-4-5-10(12,6-9(7)11)8-2-3-8/h7-9,11-12H,2-6H2,1H3
InChIKey
NTSNDVXMQVLQPO-UHFFFAOYSA-N
Compound name
1-cyclopropyl-4-methylcyclohexane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

170.13068 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.137956 136.7
[M+Na]+ 193.119898 144.3
[M-H]- 169.123404 141.6
[M+NH4]+ 188.164503 153.1
[M+K]+ 209.093838 142.1
[M+H-H2O]+ 153.127940 132.2
[M+HCOO]- 215.128881 154.2
[M+CH3COO]- 229.144531 178.2
[M+Na-2H]- 191.105346 141.0
[M]+ 170.13013142 134.6
[M]- 170.13122858 134.6
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.