CID 87870

18962-77-1

Structural Information

Molecular Formula
C7H10N2O4
SMILES
CC(=O)N(CN(C=O)C(=O)C)C=O
InChI
InChI=1S/C7H10N2O4/c1-6(12)8(4-10)3-9(5-11)7(2)13/h4-5H,3H2,1-2H3
InChIKey
KHDWSPPUGCOVPL-UHFFFAOYSA-N
Compound name
N-[[acetyl(formyl)amino]methyl]-N-formylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

25
Patents

186.06406 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.071336 137.1
[M+Na]+ 209.053278 143.3
[M-H]- 185.056784 140.4
[M+NH4]+ 204.097883 157.3
[M+K]+ 225.027218 146.0
[M+H-H2O]+ 169.061320 131.1
[M+HCOO]- 231.062261 163.5
[M+CH3COO]- 245.077911 191.8
[M+Na-2H]- 207.038726 140.4
[M]+ 186.06351142 141.3
[M]- 186.06460858 141.3
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

patents stripe