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]+ 171.13796 136.7
[M+Na]+ 193.11990 144.3
[M-H]- 169.12340 141.6
[M+NH4]+ 188.16450 153.1
[M+K]+ 209.09384 142.1
[M+H-H2O]+ 153.12794 132.2
[M+HCOO]- 215.12888 154.2
[M+CH3COO]- 229.14453 178.2
[M+Na-2H]- 191.10535 141.0
[M]+ 170.13013 134.6
[M]- 170.13123 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.