CID 16806

2297-69-0

Structural Information

Molecular Formula
C9H7NO4
SMILES
CC(=O)ON=C1C=CC(=O)C(=O)C=C1
InChI
InChI=1S/C9H7NO4/c1-6(11)14-10-7-2-4-8(12)9(13)5-3-7/h2-5H,1H3
InChIKey
VKYWUUUJICLJFK-UHFFFAOYSA-N
Compound name
[(4,5-dioxocyclohepta-2,6-dien-1-ylidene)amino] acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

193.0375 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.04478 136.3
[M+Na]+ 216.02672 145.2
[M+NH4]+ 211.07132 142.0
[M+K]+ 232.00066 142.4
[M-H]- 192.03022 136.7
[M+Na-2H]- 214.01217 141.2
[M]+ 193.03695 137.3
[M]- 193.03805 137.3
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

No patent data available for this compound.