CID 596465

2,3-dimethyl-4-nitroanisole

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC1=C(C=CC(=C1C)OC)[N+](=O)[O-]
InChI
InChI=1S/C9H11NO3/c1-6-7(2)9(13-3)5-4-8(6)10(11)12/h4-5H,1-3H3
InChIKey
DUBFMQLUMHKYOX-UHFFFAOYSA-N
Compound name
1-methoxy-2,3-dimethyl-4-nitrobenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

181.0739 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.081176 135.3
[M+Na]+ 204.063118 144.4
[M-H]- 180.066624 140.0
[M+NH4]+ 199.107723 155.3
[M+K]+ 220.037058 139.4
[M+H-H2O]+ 164.071160 134.6
[M+HCOO]- 226.072101 161.3
[M+CH3COO]- 240.087751 178.1
[M+Na-2H]- 202.048566 142.4
[M]+ 181.07335142 136.8
[M]- 181.07444858 136.8
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