CID 71418193

6-methylhept-3-yn-1-ol

Structural Information

Molecular Formula
C8H14O
SMILES
CC(C)CC#CCCO
InChI
InChI=1S/C8H14O/c1-8(2)6-4-3-5-7-9/h8-9H,5-7H2,1-2H3
InChIKey
UEFRUCZXPDBXSV-UHFFFAOYSA-N
Compound name
6-methylhept-3-yn-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

126.10446 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 127.111736 127.8
[M+Na]+ 149.093678 136.4
[M-H]- 125.097184 126.4
[M+NH4]+ 144.138283 147.5
[M+K]+ 165.067618 134.6
[M+H-H2O]+ 109.101720 117.8
[M+HCOO]- 171.102661 143.7
[M+CH3COO]- 185.118311 179.7
[M+Na-2H]- 147.079126 131.9
[M]+ 126.10391142 122.9
[M]- 126.10500858 122.9
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