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

4713
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 112.5
[M+Na]+ 94.062718 120.0
[M-H]- 70.066224 112.6
[M+NH4]+ 89.107323 136.5
[M+K]+ 110.03666 119.4
[M+H-H2O]+ 54.070760 108.4
[M+HCOO]- 116.07170 137.5
[M+CH3COO]- 130.08735 164.2
[M+Na-2H]- 92.048166 120.0
[M]+ 71.072951 110.5
[M]- 71.074049 110.5
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