CID 7613

2,5-dimethoxyaniline

Structural Information

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

2D Structure

compound 2d structure
4
Annotation Hits

7
References

5465
Patents

153.07898 Da
Monoisotopic Mass

1.2
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.