CID 11768546

Methyl 2-aminobut-3-enoate hydrochloride

Structural Information

Molecular Formula
C5H9NO2
SMILES
COC(=O)C(C=C)N
InChI
InChI=1S/C5H9NO2/c1-3-4(6)5(7)8-2/h3-4H,1,6H2,2H3
InChIKey
ZAPSZMYDFDVSLO-UHFFFAOYSA-N
Compound name
methyl 2-aminobut-3-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

115.06333 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.07061 123.3
[M+Na]+ 138.05255 132.0
[M+NH4]+ 133.09715 130.3
[M+K]+ 154.02649 128.4
[M-H]- 114.05605 122.1
[M+Na-2H]- 136.03800 126.0
[M]+ 115.06278 123.7
[M]- 115.06388 123.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe