CID 95281

5470-95-1

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC1=CC=CC(=C1OC)C=NO
InChI
InChI=1S/C9H11NO3/c1-12-8-5-3-4-7(6-10-11)9(8)13-2/h3-6,11H,1-2H3
InChIKey
GKAIQNACVNFHCU-UHFFFAOYSA-N
Compound name
N-[(2,3-dimethoxyphenyl)methylidene]hydroxylamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

28
Patents

181.0739 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 135.2
[M+Na]+ 204.06312 143.9
[M-H]- 180.06662 139.5
[M+NH4]+ 199.10772 155.4
[M+K]+ 220.03706 143.0
[M+H-H2O]+ 164.07116 129.2
[M+HCOO]- 226.07210 161.8
[M+CH3COO]- 240.08775 183.0
[M+Na-2H]- 202.04857 142.4
[M]+ 181.07335 138.7
[M]- 181.07445 138.8
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.