CID 84946

3-methyl-3-(2-cyanoethoxy)-1-butyne

Structural Information

Molecular Formula
C8H11NO
SMILES
CC(C)(C#C)OCCC#N
InChI
InChI=1S/C8H11NO/c1-4-8(2,3)10-7-5-6-9/h1H,5,7H2,2-3H3
InChIKey
BRMRUCOZUIVFCW-UHFFFAOYSA-N
Compound name
3-(2-methylbut-3-yn-2-yloxy)propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

137.08406 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.09134 154.9
[M+Na]+ 160.07328 162.4
[M+NH4]+ 155.11788 155.4
[M+K]+ 176.04722 153.0
[M-H]- 136.07678 143.0
[M+Na-2H]- 158.05873 153.0
[M]+ 137.08351 151.3
[M]- 137.08461 151.3
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.