CID 91133

6-nonen-1-yn-3-ol, 3,7-dimethyl-

Structural Information

Molecular Formula
C11H18O
SMILES
CCC(=CCCC(C)(C#C)O)C
InChI
InChI=1S/C11H18O/c1-5-10(3)8-7-9-11(4,12)6-2/h2,8,12H,5,7,9H2,1,3-4H3
InChIKey
OJXKWJPEGDDDHH-UHFFFAOYSA-N
Compound name
3,7-dimethylnon-6-en-1-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

52
Patents

166.13577 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.14305 139.1
[M+Na]+ 189.12499 148.3
[M+NH4]+ 184.16959 142.6
[M+K]+ 205.09893 140.3
[M-H]- 165.12849 129.8
[M+Na-2H]- 187.11044 139.0
[M]+ 166.13522 136.8
[M]- 166.13632 136.8
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