CID 22770

3,4-dimethoxyaniline

Structural Information

Molecular Formula
C8H11NO2
SMILES
COC1=C(C=C(C=C1)N)OC
InChI
InChI=1S/C8H11NO2/c1-10-7-4-3-6(9)5-8(7)11-2/h3-5H,9H2,1-2H3
InChIKey
LGDHZCLREKIGKJ-UHFFFAOYSA-N
Compound name
3,4-dimethoxyaniline
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

5
References

4595
Patents

153.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.08626 129.4
[M+Na]+ 176.06820 138.2
[M-H]- 152.07170 133.3
[M+NH4]+ 171.11280 150.5
[M+K]+ 192.04214 137.2
[M+H-H2O]+ 136.07624 123.8
[M+HCOO]- 198.07718 155.2
[M+CH3COO]- 212.09283 178.8
[M+Na-2H]- 174.05365 136.0
[M]+ 153.07843 130.9
[M]- 153.07953 130.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe