CID 2806123

339069-69-1

Structural Information

Molecular Formula
C9H10N2O3
SMILES
COC(=O)C1=CC=CC=C1N=CNO
InChI
InChI=1S/C9H10N2O3/c1-14-9(12)7-4-2-3-5-8(7)10-6-11-13/h2-6,13H,1H3,(H,10,11)
InChIKey
BHQDJWWRSBFBNM-UHFFFAOYSA-N
Compound name
methyl 2-[(hydroxyamino)methylideneamino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

3
Patents

194.06914 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.076416 139.0
[M+Na]+ 217.058358 145.8
[M-H]- 193.061864 142.9
[M+NH4]+ 212.102963 157.8
[M+K]+ 233.032298 144.7
[M+H-H2O]+ 177.066400 132.3
[M+HCOO]- 239.067341 165.7
[M+CH3COO]- 253.082991 186.2
[M+Na-2H]- 215.043806 145.8
[M]+ 194.06859142 139.8
[M]- 194.06968858 139.8
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