CID 3017714

7,7-dimethoxyhept-3-yne

Structural Information

Molecular Formula
C9H16O2
SMILES
CCC#CCCC(OC)OC
InChI
InChI=1S/C9H16O2/c1-4-5-6-7-8-9(10-2)11-3/h9H,4,7-8H2,1-3H3
InChIKey
ATHYNGWPIOFAMY-UHFFFAOYSA-N
Compound name
7,7-dimethoxyhept-3-yne
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

156.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.122316 132.3
[M+Na]+ 179.104258 140.9
[M-H]- 155.107764 131.9
[M+NH4]+ 174.148863 151.5
[M+K]+ 195.078198 140.0
[M+H-H2O]+ 139.112300 121.7
[M+HCOO]- 201.113241 149.5
[M+CH3COO]- 215.128891 186.6
[M+Na-2H]- 177.089706 136.5
[M]+ 156.11449142 130.8
[M]- 156.11558858 130.8
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