CID 11105756

72008-25-4

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

168.11504 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.122316 138.3
[M+Na]+ 191.104258 146.9
[M-H]- 167.107764 138.0
[M+NH4]+ 186.148863 156.9
[M+K]+ 207.078198 145.7
[M+H-H2O]+ 151.112300 128.0
[M+HCOO]- 213.113241 153.8
[M+CH3COO]- 227.128891 189.9
[M+Na-2H]- 189.089706 142.3
[M]+ 168.11449142 136.1
[M]- 168.11558858 136.1
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