CID 14288800

4-aminobut-2-enenitrile hydrochloride

Structural Information

Molecular Formula
C4H6N2
SMILES
C(/C=C/C#N)N
InChI
InChI=1S/C4H6N2/c5-3-1-2-4-6/h1-2H,3,5H2/b2-1+
InChIKey
BYEOBIZRFGJPGG-OWOJBTEDSA-N
Compound name
(E)-4-aminobut-2-enenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

82.0531 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 83.060376 118.0
[M+Na]+ 105.04232 127.7
[M+NH4]+ 100.08692 122.8
[M+K]+ 121.01626 119.2
[M-H]- 81.045824 111.2
[M+Na-2H]- 103.02777 120.2
[M]+ 82.052551 116.3
[M]- 82.053649 116.3
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

No patent data available for this compound.