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

17
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 115.0
[M+Na]+ 105.042318 124.3
[M-H]- 81.045824 115.7
[M+NH4]+ 100.086923 136.2
[M+K]+ 121.016258 123.5
[M+H-H2O]+ 65.050360 104.2
[M+HCOO]- 127.051301 136.4
[M+CH3COO]- 141.066951 178.8
[M+Na-2H]- 103.027766 122.1
[M]+ 82.05255142 108.3
[M]- 82.05364858 108.3
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

patents stripe