CID 11768546

160796-90-7

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

17
Patents

115.06333 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 122.9
[M+Na]+ 138.052548 129.9
[M-H]- 114.056054 123.0
[M+NH4]+ 133.097153 145.0
[M+K]+ 154.026488 130.1
[M+H-H2O]+ 98.060590 118.3
[M+HCOO]- 160.061531 146.3
[M+CH3COO]- 174.077181 171.3
[M+Na-2H]- 136.037996 127.1
[M]+ 115.06278142 122.0
[M]- 115.06387858 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