CID 5318003

4-amino-2-methylenebutanoic acid

Structural Information

Molecular Formula
C5H9NO2
SMILES
C=C(CCN)C(=O)O
InChI
InChI=1S/C5H9NO2/c1-4(2-3-6)5(7)8/h1-3,6H2,(H,7,8)
InChIKey
FTWHFXMUJQRNBK-UHFFFAOYSA-N
Compound name
4-amino-2-methylidenebutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4768
Patents

115.06333 Da
Monoisotopic Mass

-2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 116.070606 123.6
[M+Na]+ 138.052548 130.1
[M-H]- 114.056054 122.2
[M+NH4]+ 133.097153 144.8
[M+K]+ 154.026488 129.3
[M+H-H2O]+ 98.060590 119.1
[M+HCOO]- 160.061531 145.4
[M+CH3COO]- 174.077181 169.4
[M+Na-2H]- 136.037996 127.2
[M]+ 115.06278142 120.8
[M]- 115.06387858 120.8
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