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

16
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]+ 105.04232 124.3
[M-H]- 81.045824 115.7
[M+NH4]+ 100.08692 136.2
[M+K]+ 121.01626 123.5
[M+H-H2O]+ 65.050360 104.2
[M+HCOO]- 127.05130 136.4
[M+CH3COO]- 141.06695 178.8
[M+Na-2H]- 103.02777 122.1
[M]+ 82.052551 108.3
[M]- 82.053649 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