CID 76314

2-dimethylaminomethyl-4-nitro-6-methoxyphenol

Structural Information

Molecular Formula
C10H14N2O4
SMILES
CN(C)CC1=C(C(=CC(=C1)[N+](=O)[O-])OC)O
InChI
InChI=1S/C10H14N2O4/c1-11(2)6-7-4-8(12(14)15)5-9(16-3)10(7)13/h4-5,13H,6H2,1-3H3
InChIKey
MSWHEVZDIOXYEF-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-6-methoxy-4-nitrophenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

226.09535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.102626 146.6
[M+Na]+ 249.084568 153.8
[M-H]- 225.088074 150.9
[M+NH4]+ 244.129173 164.1
[M+K]+ 265.058508 149.4
[M+H-H2O]+ 209.092610 144.9
[M+HCOO]- 271.093551 172.4
[M+CH3COO]- 285.109201 188.7
[M+Na-2H]- 247.070016 152.4
[M]+ 226.09480142 148.3
[M]- 226.09589858 148.3
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

patents stripe