CID 103660

3,6,7-trimethyloct-6-en-1-yn-3-ol

Structural Information

Molecular Formula
C11H18O
SMILES
CC(=C(C)CCC(C)(C#C)O)C
InChI
InChI=1S/C11H18O/c1-6-11(5,12)8-7-10(4)9(2)3/h1,12H,7-8H2,2-5H3
InChIKey
UOQFIGQMCWDDKX-UHFFFAOYSA-N
Compound name
3,6,7-trimethyloct-6-en-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

18
Patents

166.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.143046 142.6
[M+Na]+ 189.124988 150.3
[M-H]- 165.128494 141.0
[M+NH4]+ 184.169593 160.6
[M+K]+ 205.098928 148.0
[M+H-H2O]+ 149.133030 132.7
[M+HCOO]- 211.133971 155.3
[M+CH3COO]- 225.149621 188.6
[M+Na-2H]- 187.110436 144.2
[M]+ 166.13522142 136.9
[M]- 166.13631858 136.9
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