CID 443732

3-buten-1-amine

Structural Information

Molecular Formula
C4H9N
SMILES
C=CCCN
InChI
InChI=1S/C4H9N/c1-2-3-4-5/h2H,1,3-5H2
InChIKey
ASVKKRLMJCWVQF-UHFFFAOYSA-N
Compound name
but-3-en-1-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

2896
Patents

71.0735 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 112.2
[M+Na]+ 94.062718 122.6
[M+NH4]+ 89.107323 121.0
[M+K]+ 110.03666 116.7
[M-H]- 70.066224 112.8
[M+Na-2H]- 92.048166 117.1
[M]+ 71.072951 113.6
[M]- 71.074049 113.6
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