CID 14760806

2,5-dimethoxy-n-methylaniline

Structural Information

Molecular Formula
C9H13NO2
SMILES
CNC1=C(C=CC(=C1)OC)OC
InChI
InChI=1S/C9H13NO2/c1-10-8-6-7(11-2)4-5-9(8)12-3/h4-6,10H,1-3H3
InChIKey
MWNSYRQZGLEMAU-UHFFFAOYSA-N
Compound name
2,5-dimethoxy-N-methylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

92
Patents

167.09464 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.10192 133.4
[M+Na]+ 190.08386 141.8
[M-H]- 166.08736 137.7
[M+NH4]+ 185.12846 154.3
[M+K]+ 206.05780 141.0
[M+H-H2O]+ 150.09190 127.6
[M+HCOO]- 212.09284 159.5
[M+CH3COO]- 226.10849 182.5
[M+Na-2H]- 188.06931 140.6
[M]+ 167.09409 136.3
[M]- 167.09519 136.3
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