CID 19426

2-ethylpropanedinitrile

Structural Information

Molecular Formula
C5H6N2
SMILES
CCC(C#N)C#N
InChI
InChI=1S/C5H6N2/c1-2-5(3-6)4-7/h5H,2H2,1H3
InChIKey
PLKGLZXMDLCSLY-UHFFFAOYSA-N
Compound name
2-ethylpropanedinitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

1949
Patents

94.0531 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 95.060376 132.3
[M+Na]+ 117.04232 141.5
[M-H]- 93.045824 134.9
[M+NH4]+ 112.08692 147.9
[M+K]+ 133.01626 141.0
[M+H-H2O]+ 77.050360 118.6
[M+HCOO]- 139.05130 145.1
[M+CH3COO]- 153.06695 205.4
[M+Na-2H]- 115.02777 136.0
[M]+ 94.052551 124.7
[M]- 94.053649 124.7
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