CID 3021755

5,5-diethoxy-4-methyl-3-penten-1-yne

Structural Information

Molecular Formula
C10H16O2
SMILES
CCOC(C(=CC#C)C)OCC
InChI
InChI=1S/C10H16O2/c1-5-8-9(4)10(11-6-2)12-7-3/h1,8,10H,6-7H2,2-4H3
InChIKey
DERQCIKRSQWNOA-UHFFFAOYSA-N
Compound name
5,5-diethoxy-4-methylpent-3-en-1-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.11504 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 136.8
[M+Na]+ 191.104258 145.0
[M-H]- 167.107764 136.3
[M+NH4]+ 186.148863 155.3
[M+K]+ 207.078198 143.7
[M+H-H2O]+ 151.112300 126.1
[M+HCOO]- 213.113241 152.9
[M+CH3COO]- 227.128891 189.8
[M+Na-2H]- 189.089706 139.3
[M]+ 168.11449142 134.4
[M]- 168.11558858 134.4
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.