CID 130125022

1823336-75-9

Structural Information

Molecular Formula
C9H18O2
SMILES
CC1(CCC(CC1)CCO)O
InChI
InChI=1S/C9H18O2/c1-9(11)5-2-8(3-6-9)4-7-10/h8,10-11H,2-7H2,1H3
InChIKey
GRLYZCBIETWTTD-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethyl)-1-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

158.13068 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.137956 136.7
[M+Na]+ 181.119898 142.0
[M-H]- 157.123404 137.1
[M+NH4]+ 176.164503 158.3
[M+K]+ 197.093838 140.2
[M+H-H2O]+ 141.127940 132.6
[M+HCOO]- 203.128881 154.3
[M+CH3COO]- 217.144531 171.9
[M+Na-2H]- 179.105346 141.3
[M]+ 158.13013142 132.1
[M]- 158.13122858 132.1
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

patents stripe