CID 3019341

2-methoxy-2-methylhept-4-yn-3-ol

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC#CC(C(C)(C)OC)O
InChI
InChI=1S/C9H16O2/c1-5-6-7-8(10)9(2,3)11-4/h8,10H,5H2,1-4H3
InChIKey
SLBALKXWOFELQN-UHFFFAOYSA-N
Compound name
2-methoxy-2-methylhept-4-yn-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.11504 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 137.0
[M+Na]+ 179.104258 145.5
[M-H]- 155.107764 135.7
[M+NH4]+ 174.148863 155.6
[M+K]+ 195.078198 144.4
[M+H-H2O]+ 139.112300 127.2
[M+HCOO]- 201.113241 151.4
[M+CH3COO]- 215.128891 184.4
[M+Na-2H]- 177.089706 140.9
[M]+ 156.11449142 133.2
[M]- 156.11558858 133.2
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

No patent data available for this compound.