CID 21379

2,5-diaminoanisole

Structural Information

Molecular Formula
C7H10N2O
SMILES
COC1=C(C=CC(=C1)N)N
InChI
InChI=1S/C7H10N2O/c1-10-7-4-5(8)2-3-6(7)9/h2-4H,8-9H2,1H3
InChIKey
HGUYBLVGLMAUFF-UHFFFAOYSA-N
Compound name
2-methoxybenzene-1,4-diamine
Related CIDs

2D Structure

compound 2d structure
7
Annotation Hits

1
References

4628
Patents

138.07932 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.08660 126.3
[M+Na]+ 161.06854 134.7
[M-H]- 137.07204 129.8
[M+NH4]+ 156.11314 147.4
[M+K]+ 177.04248 133.0
[M+H-H2O]+ 121.07658 120.6
[M+HCOO]- 183.07752 152.5
[M+CH3COO]- 197.09317 178.0
[M+Na-2H]- 159.05399 132.5
[M]+ 138.07877 124.1
[M]- 138.07987 124.1
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