CID 6433772

2-butenylamine

Structural Information

Molecular Formula
C4H9N
SMILES
C/C=C/CN
InChI
InChI=1S/C4H9N/c1-2-3-4-5/h2-3H,4-5H2,1H3/b3-2+
InChIKey
QFUSOYKIDBRREL-NSCUHMNNSA-N
Compound name
(E)-but-2-en-1-amine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

5
References

7419
Patents

71.0735 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 72.080776 112.7
[M+Na]+ 94.062718 120.3
[M-H]- 70.066224 112.9
[M+NH4]+ 89.107323 136.8
[M+K]+ 110.03666 119.7
[M+H-H2O]+ 54.070760 108.7
[M+HCOO]- 116.07170 137.8
[M+CH3COO]- 130.08735 163.5
[M+Na-2H]- 92.048166 120.2
[M]+ 71.072951 110.6
[M]- 71.074049 110.6
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