CID 642240

Methyl 3-aminocrotonate

Structural Information

Molecular Formula
C5H9NO2
SMILES
C/C(=C\C(=O)OC)/N
InChI
InChI=1S/C5H9NO2/c1-4(6)3-5(7)8-2/h3H,6H2,1-2H3/b4-3+
InChIKey
XKORCTIIRYKLLG-ONEGZZNKSA-N
Compound name
methyl (E)-3-aminobut-2-enoate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

8
References

1578
Patents

115.06333 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.5
[M+Na]+ 138.05255 132.2
[M+NH4]+ 133.09715 130.5
[M+K]+ 154.02649 128.6
[M-H]- 114.05605 122.3
[M+Na-2H]- 136.03800 126.2
[M]+ 115.06278 123.9
[M]- 115.06388 123.9
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