CID 71386800

4-isocyanobut-1-ene

Structural Information

Molecular Formula
C5H7N
SMILES
C=CCC[N+]#[C-]
InChI
InChI=1S/C5H7N/c1-3-4-5-6-2/h3H,1,4-5H2
InChIKey
UTUJBZSIIVOFIF-UHFFFAOYSA-N
Compound name
4-isocyanobut-1-ene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

81.057846 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 82.065122 115.7
[M+Na]+ 104.04706 128.2
[M+NH4]+ 99.091669 121.6
[M+K]+ 120.02100 120.3
[M-H]- 80.050570 110.1
[M+Na-2H]- 102.03251 118.6
[M]+ 81.057297 115.0
[M]- 81.058395 115.0
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

No patent data available for this compound.