CID 14322100

6-hepten-3-yn-2-ol, 2,6-dimethyl-

Structural Information

Molecular Formula
C9H14O
SMILES
CC(=C)CC#CC(C)(C)O
InChI
InChI=1S/C9H14O/c1-8(2)6-5-7-9(3,4)10/h10H,1,6H2,2-4H3
InChIKey
YHRYIGJRTPXVNC-UHFFFAOYSA-N
Compound name
2,6-dimethylhept-6-en-3-yn-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

138.10446 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.111736 134.3
[M+Na]+ 161.093678 143.1
[M-H]- 137.097184 133.1
[M+NH4]+ 156.138283 153.6
[M+K]+ 177.067618 140.9
[M+H-H2O]+ 121.101720 124.8
[M+HCOO]- 183.102661 148.6
[M+CH3COO]- 197.118311 181.8
[M+Na-2H]- 159.079126 138.1
[M]+ 138.10391142 128.6
[M]- 138.10500858 128.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe