CID 49981

5862-77-1

Structural Information

Molecular Formula
C8H12N2O
SMILES
CCOC1=C(C=C(C=C1)N)N
InChI
InChI=1S/C8H12N2O/c1-2-11-8-4-3-6(9)5-7(8)10/h3-5H,2,9-10H2,1H3
InChIKey
NQHVJMJEWQQXBS-UHFFFAOYSA-N
Compound name
4-ethoxybenzene-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

1418
Patents

152.09496 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 153.10224 130.7
[M+Na]+ 175.08418 142.0
[M+NH4]+ 170.12878 139.2
[M+K]+ 191.05812 136.3
[M-H]- 151.08768 133.9
[M+Na-2H]- 173.06963 137.3
[M]+ 152.09441 133.0
[M]- 152.09551 133.0
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