CID 6433772

Crotylamine

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

0
References

1970
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 112.4
[M+Na]+ 94.062718 122.8
[M+NH4]+ 89.107323 121.2
[M+K]+ 110.03666 116.9
[M-H]- 70.066224 113.0
[M+Na-2H]- 92.048166 117.2
[M]+ 71.072951 113.8
[M]- 71.074049 113.8
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