CID 61750154

2-(prop-2-yn-1-yl)cyclohexan-1-ol

Structural Information

Molecular Formula
C9H14O
SMILES
C#CCC1CCCCC1O
InChI
InChI=1S/C9H14O/c1-2-5-8-6-3-4-7-9(8)10/h1,8-10H,3-7H2
InChIKey
HSTZTEDWURGETC-UHFFFAOYSA-N
Compound name
2-prop-2-ynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

138.10446 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 129.4
[M+Na]+ 161.093678 137.6
[M-H]- 137.097184 130.3
[M+NH4]+ 156.138283 148.4
[M+K]+ 177.067618 133.7
[M+H-H2O]+ 121.101720 119.0
[M+HCOO]- 183.102661 143.4
[M+CH3COO]- 197.118311 180.4
[M+Na-2H]- 159.079126 133.2
[M]+ 138.10391142 119.8
[M]- 138.10500858 119.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe