CID 11899232

63975-60-0

Structural Information

Molecular Formula
C10H20O
SMILES
CCC[C@@H]1CC[C@H](C[C@@H]1O)C
InChI
InChI=1S/C10H20O/c1-3-4-9-6-5-8(2)7-10(9)11/h8-11H,3-7H2,1-2H3/t8-,9-,10+/m1/s1
InChIKey
VWXNPISBYOISDJ-BBBLOLIVSA-N
Compound name
(1S,2R,5R)-5-methyl-2-propylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.15141 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.158686 137.0
[M+Na]+ 179.140628 142.4
[M-H]- 155.144134 138.7
[M+NH4]+ 174.185233 157.8
[M+K]+ 195.114568 140.6
[M+H-H2O]+ 139.148670 132.1
[M+HCOO]- 201.149611 155.6
[M+CH3COO]- 215.165261 177.1
[M+Na-2H]- 177.126076 139.9
[M]+ 156.15086142 133.3
[M]- 156.15195858 133.3
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.