CID 165868015

Chebi:231775

Structural Information

Molecular Formula
C10H15NO3
SMILES
CNCCC1=CC(=C(C(=C1)OC)O)O
InChI
InChI=1S/C10H15NO3/c1-11-4-3-7-5-8(12)10(13)9(6-7)14-2/h5-6,11-13H,3-4H2,1-2H3
InChIKey
IMNHSQPRLWZUGS-UHFFFAOYSA-N
Compound name
3-methoxy-5-[2-(methylamino)ethyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 142.0
[M+Na]+ 220.09442 149.8
[M-H]- 196.09792 143.5
[M+NH4]+ 215.13902 160.3
[M+K]+ 236.06836 147.5
[M+H-H2O]+ 180.10246 136.3
[M+HCOO]- 242.10340 164.8
[M+CH3COO]- 256.11905 183.8
[M+Na-2H]- 218.07987 146.8
[M]+ 197.10465 143.2
[M]- 197.10575 143.2
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.