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
1
Annotation Hits

0
References

24
Patents

166.13577 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 142.6
[M+Na]+ 189.12499 150.3
[M-H]- 165.12849 141.0
[M+NH4]+ 184.16959 160.6
[M+K]+ 205.09893 148.0
[M+H-H2O]+ 149.13303 132.7
[M+HCOO]- 211.13397 155.3
[M+CH3COO]- 225.14962 188.6
[M+Na-2H]- 187.11044 144.2
[M]+ 166.13522 136.9
[M]- 166.13632 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