CID 107175

1,2-cyclohexanediol, 3-methyl-6-(1-methylethyl)-

Structural Information

Molecular Formula
C10H20O2
SMILES
CC1CCC(C(C1O)O)C(C)C
InChI
InChI=1S/C10H20O2/c1-6(2)8-5-4-7(3)9(11)10(8)12/h6-12H,4-5H2,1-3H3
InChIKey
WQFGPARDTSBVLU-UHFFFAOYSA-N
Compound name
3-methyl-6-propan-2-ylcyclohexane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1689
Patents

172.14633 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.15361 140.3
[M+Na]+ 195.13555 145.9
[M-H]- 171.13905 141.0
[M+NH4]+ 190.18015 159.9
[M+K]+ 211.10949 144.2
[M+H-H2O]+ 155.14359 135.9
[M+HCOO]- 217.14453 156.6
[M+CH3COO]- 231.16018 178.7
[M+Na-2H]- 193.12100 140.8
[M]+ 172.14578 136.0
[M]- 172.14688 136.0
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