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

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.05568 134.8
[M+Na]+ 195.03762 140.8
[M-H]- 171.04112 134.7
[M+NH4]+ 190.08222 153.9
[M+K]+ 211.01156 141.1
[M+H-H2O]+ 155.04566 129.1
[M+HCOO]- 217.04660 158.7
[M+CH3COO]- 231.06225 180.8
[M+Na-2H]- 193.02307 137.4
[M]+ 172.04785 134.0
[M]- 172.04895 134.0
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