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

15
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 122.9
[M+Na]+ 138.05255 129.9
[M-H]- 114.05605 123.0
[M+NH4]+ 133.09715 145.0
[M+K]+ 154.02649 130.1
[M+H-H2O]+ 98.060590 118.3
[M+HCOO]- 160.06153 146.3
[M+CH3COO]- 174.07718 171.3
[M+Na-2H]- 136.03800 127.1
[M]+ 115.06278 122.0
[M]- 115.06388 122.0
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