CID 74080

2-methyleneglutaronitrile

Structural Information

Molecular Formula
C6H6N2
SMILES
C=C(CCC#N)C#N
InChI
InChI=1S/C6H6N2/c1-6(5-8)3-2-4-7/h1-3H2
InChIKey
NGCJVMZXRCLPRQ-UHFFFAOYSA-N
Compound name
2-methylidenepentanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1320
Patents

106.0531 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 107.06038 136.0
[M+Na]+ 129.04232 145.1
[M-H]- 105.04582 138.4
[M+NH4]+ 124.08692 151.2
[M+K]+ 145.01626 143.9
[M+H-H2O]+ 89.050360 122.1
[M+HCOO]- 151.05130 148.7
[M+CH3COO]- 165.06695 206.8
[M+Na-2H]- 127.02777 139.2
[M]+ 106.05255 128.1
[M]- 106.05365 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe