CID 53755012

2-ethylbut-2-enenitrile

Structural Information

Molecular Formula
C6H9N
SMILES
CCC(=CC)C#N
InChI
InChI=1S/C6H9N/c1-3-6(4-2)5-7/h3H,4H2,1-2H3
InChIKey
ZJPQPBRWBXBMRY-UHFFFAOYSA-N
Compound name
2-ethylbut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

95.0735 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 96.080776 118.6
[M+Na]+ 118.062718 127.9
[M-H]- 94.066224 119.8
[M+NH4]+ 113.107323 140.0
[M+K]+ 134.036658 127.2
[M+H-H2O]+ 78.070760 108.1
[M+HCOO]- 140.071701 138.4
[M+CH3COO]- 154.087351 181.4
[M+Na-2H]- 116.048166 124.6
[M]+ 95.07295142 113.7
[M]- 95.07404858 113.7
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