CID 10997643

15332-33-9

Structural Information

Molecular Formula
C12H20O
SMILES
CCCCC#CC1(CCCCC1)O
InChI
InChI=1S/C12H20O/c1-2-3-4-6-9-12(13)10-7-5-8-11-12/h13H,2-5,7-8,10-11H2,1H3
InChIKey
UJYZRMROGXVXFD-UHFFFAOYSA-N
Compound name
1-hex-1-ynylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

180.15141 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.158686 143.4
[M+Na]+ 203.140628 150.9
[M-H]- 179.144134 143.9
[M+NH4]+ 198.185233 162.6
[M+K]+ 219.114568 145.7
[M+H-H2O]+ 163.148670 132.9
[M+HCOO]- 225.149611 156.6
[M+CH3COO]- 239.165261 186.0
[M+Na-2H]- 201.126076 147.2
[M]+ 180.15086142 134.6
[M]- 180.15195858 134.6
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