CID 7010451

10562-68-2

Structural Information

Molecular Formula
C11H20O
SMILES
CC(C)CC(CC(C)C)(C#C)O
InChI
InChI=1S/C11H20O/c1-6-11(12,7-9(2)3)8-10(4)5/h1,9-10,12H,7-8H2,2-5H3
InChIKey
CSNWKQHTZXPWJS-UHFFFAOYSA-N
Compound name
4-ethynyl-2,6-dimethylheptan-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

170
Patents

168.15141 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.158686 142.6
[M+Na]+ 191.140628 150.0
[M-H]- 167.144134 141.0
[M+NH4]+ 186.185233 160.6
[M+K]+ 207.114568 148.3
[M+H-H2O]+ 151.148670 132.7
[M+HCOO]- 213.149611 155.2
[M+CH3COO]- 227.165261 190.1
[M+Na-2H]- 189.126076 144.4
[M]+ 168.15086142 137.7
[M]- 168.15195858 137.7
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