CID 105724

67828-39-1

Structural Information

Molecular Formula
C9H9NO4
SMILES
COC(=O)C(=N)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H9NO4/c1-14-9(13)8(10)6-3-2-5(11)4-7(6)12/h2-4,10-12H,1H3
InChIKey
VEAZSXJUBOFFKV-UHFFFAOYSA-N
Compound name
methyl 2-(2,4-dihydroxyphenyl)-2-iminoacetate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

195.05316 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.060436 138.6
[M+Na]+ 218.042378 146.0
[M-H]- 194.045884 140.2
[M+NH4]+ 213.086983 156.4
[M+K]+ 234.016318 144.3
[M+H-H2O]+ 178.050420 133.1
[M+HCOO]- 240.051361 160.5
[M+CH3COO]- 254.067011 181.2
[M+Na-2H]- 216.027826 142.3
[M]+ 195.05261142 137.8
[M]- 195.05370858 137.8
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.