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 131.1
[M+Na]+ 216.02672 137.6
[M-H]- 192.03022 137.7
[M+NH4]+ 211.07132 149.7
[M+K]+ 232.00066 142.4
[M+H-H2O]+ 176.03476 126.0
[M+HCOO]- 238.03570 156.5
[M+CH3COO]- 252.05135 187.2
[M+Na-2H]- 214.01217 136.5
[M]+ 193.03695 130.4
[M]- 193.03805 130.4
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.