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 136.8
[M+Na]+ 204.06312 144.2
[M-H]- 180.06662 138.3
[M+NH4]+ 199.10772 155.3
[M+K]+ 220.03706 141.9
[M+H-H2O]+ 164.07116 131.3
[M+HCOO]- 226.07210 159.2
[M+CH3COO]- 240.08775 179.6
[M+Na-2H]- 202.04857 141.6
[M]+ 181.07335 135.9
[M]- 181.07445 135.9
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.