CID 2775316

4-methylpent-4-enenitrile

Structural Information

Molecular Formula
C6H9N
SMILES
CC(=C)CCC#N
InChI
InChI=1S/C6H9N/c1-6(2)4-3-5-7/h1,3-4H2,2H3
InChIKey
XGXZPXIIEIAJKL-UHFFFAOYSA-N
Compound name
4-methylpent-4-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

85
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 118.3
[M+Na]+ 118.062718 127.5
[M-H]- 94.066224 119.4
[M+NH4]+ 113.107323 139.7
[M+K]+ 134.036658 126.8
[M+H-H2O]+ 78.070760 107.7
[M+HCOO]- 140.071701 138.1
[M+CH3COO]- 154.087351 182.0
[M+Na-2H]- 116.048166 124.3
[M]+ 95.07295142 113.5
[M]- 95.07404858 113.5
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