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

2
Patents

226.09535 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.10263 146.6
[M+Na]+ 249.08457 153.8
[M-H]- 225.08807 150.9
[M+NH4]+ 244.12917 164.1
[M+K]+ 265.05851 149.4
[M+H-H2O]+ 209.09261 144.9
[M+HCOO]- 271.09355 172.4
[M+CH3COO]- 285.10920 188.7
[M+Na-2H]- 247.07002 152.4
[M]+ 226.09480 148.3
[M]- 226.09590 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