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]+ 157.15869 137.0
[M+Na]+ 179.14063 142.4
[M-H]- 155.14413 138.7
[M+NH4]+ 174.18523 157.8
[M+K]+ 195.11457 140.6
[M+H-H2O]+ 139.14867 132.1
[M+HCOO]- 201.14961 155.6
[M+CH3COO]- 215.16526 177.1
[M+Na-2H]- 177.12608 139.9
[M]+ 156.15086 133.3
[M]- 156.15196 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.