CID 46926286

N(3)-fumaroyl-(s)-2,3-diaminopropanoate

Structural Information

Molecular Formula
C7H10N2O5
SMILES
C([C@@H](C(=O)O)N)NC(=O)/C=C/C(=O)O
InChI
InChI=1S/C7H10N2O5/c8-4(7(13)14)3-9-5(10)1-2-6(11)12/h1-2,4H,3,8H2,(H,9,10)(H,11,12)(H,13,14)/b2-1+/t4-/m0/s1
InChIKey
FYPSRFSOOLJBNE-QPHDTYRISA-N
Compound name
(E)-4-[[(2S)-2-amino-2-carboxyethyl]amino]-4-oxobut-2-enoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

202.05898 Da
Monoisotopic Mass

-4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 203.06626 143.9
[M+Na]+ 225.04820 147.6
[M+NH4]+ 220.09280 146.6
[M+K]+ 241.02214 147.7
[M-H]- 201.05170 139.0
[M+Na-2H]- 223.03365 142.0
[M]+ 202.05843 141.9
[M]- 202.05953 141.9
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

No patent data available for this compound.