CID 5287671

L-2-amino-4-methoxy-cis-but-3-enoic acid

Structural Information

Molecular Formula
C5H9NO3
SMILES
CO/C=C\[C@@H](C(=O)O)N
InChI
InChI=1S/C5H9NO3/c1-9-3-2-4(6)5(7)8/h2-4H,6H2,1H3,(H,7,8)/b3-2-/t4-/m0/s1
InChIKey
HLOPMQJRUIOMJO-SWOZAWMQSA-N
Compound name
(Z,2S)-2-amino-4-methoxybut-3-enoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

23
References

385
Patents

131.05824 Da
Monoisotopic Mass

-2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 132.065516 126.4
[M+Na]+ 154.047458 132.9
[M-H]- 130.050964 125.0
[M+NH4]+ 149.092063 147.0
[M+K]+ 170.021398 132.7
[M+H-H2O]+ 114.055500 121.7
[M+HCOO]- 176.056441 148.5
[M+CH3COO]- 190.072091 170.9
[M+Na-2H]- 152.032906 130.0
[M]+ 131.05769142 125.1
[M]- 131.05878858 125.1
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