CID 78096

Acetic acid, bis[(1-oxo-2-propenyl)amino]-

Structural Information

Molecular Formula
C8H10N2O4
SMILES
C=CC(=O)NC(C(=O)O)NC(=O)C=C
InChI
InChI=1S/C8H10N2O4/c1-3-5(11)9-7(8(13)14)10-6(12)4-2/h3-4,7H,1-2H2,(H,9,11)(H,10,12)(H,13,14)
InChIKey
LVKKFNORSNCNPP-UHFFFAOYSA-N
Compound name
2,2-bis(prop-2-enoylamino)acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

8
References

1190
Patents

198.06406 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.07134 142.6
[M+Na]+ 221.05328 147.3
[M-H]- 197.05678 141.3
[M+NH4]+ 216.09788 159.9
[M+K]+ 237.02722 146.4
[M+H-H2O]+ 181.06132 136.9
[M+HCOO]- 243.06226 164.1
[M+CH3COO]- 257.07791 186.5
[M+Na-2H]- 219.03873 143.5
[M]+ 198.06351 140.4
[M]- 198.06461 140.4
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