CID 5355030

Methyl maleurate

Structural Information

Molecular Formula

C₆H₈N₂O₄

SMILES

COC(=O)/C=C\C(=O)NC(=O)N

InChI

InChI=1S/C6H8N2O4/c1-12-5(10)3-2-4(9)8-6(7)11/h2-3H,1H3,(H3,7,8,9,11)/b3-2-

InChIKey

DSQHQLPYWULAMJ-IHWYPQMZSA-N

Compound name

methyl (Z)-4-(carbamoylamino)-4-oxobut-2-enoate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 172.0484 Da
Monoisotopic Mass: -0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	173.05568	136.5
[M+Na]+	195.03762	142.5
[M+NH4]+	190.08222	140.9
[M+K]+	211.01156	140.8
[M-H]-	171.04112	133.6
[M+Na-2H]-	193.02307	137.0
[M]+	172.04785	135.7
[M]-	172.04895	135.7

Literature stripe

literature stripe

Patent stripe

patents stripe