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

12
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 120.5
[M+Na]+ 118.06272 131.1
[M+NH4]+ 113.10732 125.6
[M+K]+ 134.03666 122.3
[M-H]- 94.066224 113.5
[M+Na-2H]- 116.04817 122.8
[M]+ 95.072951 119.0
[M]- 95.074049 119.0
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