CID 113330

1,3-benzenediol, 4-(1-imino-2-methoxyethyl)-, hydrochloride

Structural Information

Molecular Formula
C9H11NO3
SMILES
COCC(=N)C1=C(C=C(C=C1)O)O
InChI
InChI=1S/C9H11NO3/c1-13-5-8(10)7-3-2-6(11)4-9(7)12/h2-4,10-12H,5H2,1H3
InChIKey
FZDPESNBKUCSLO-UHFFFAOYSA-N
Compound name
4-(2-methoxyethanimidoyl)benzene-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.0739 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 137.6
[M+Na]+ 204.06312 148.2
[M+NH4]+ 199.10772 144.5
[M+K]+ 220.03706 143.9
[M-H]- 180.06662 138.3
[M+Na-2H]- 202.04857 142.5
[M]+ 181.07335 139.0
[M]- 181.07445 139.0
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.