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]+ 159.13796 136.7
[M+Na]+ 181.11990 142.0
[M-H]- 157.12340 137.1
[M+NH4]+ 176.16450 158.3
[M+K]+ 197.09384 140.2
[M+H-H2O]+ 141.12794 132.6
[M+HCOO]- 203.12888 154.3
[M+CH3COO]- 217.14453 171.9
[M+Na-2H]- 179.10535 141.3
[M]+ 158.13013 132.1
[M]- 158.13123 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