CID 58439405

89450-28-2

Structural Information

Molecular Formula
C9H18O2
SMILES
CC(C)(C1CCC(CC1)O)O
InChI
InChI=1S/C9H18O2/c1-9(2,11)7-3-5-8(10)6-4-7/h7-8,10-11H,3-6H2,1-2H3
InChIKey
SWTXIPGMIMZAIE-UHFFFAOYSA-N
Compound name
4-(2-hydroxypropan-2-yl)cyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

46
Patents

158.13068 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.13796 136.6
[M+Na]+ 181.11990 141.4
[M-H]- 157.12340 136.9
[M+NH4]+ 176.16450 156.2
[M+K]+ 197.09384 139.8
[M+H-H2O]+ 141.12794 132.3
[M+HCOO]- 203.12888 152.6
[M+CH3COO]- 217.14453 172.7
[M+Na-2H]- 179.10535 140.8
[M]+ 158.13013 131.2
[M]- 158.13123 131.2
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