CID 67249952

N1-ethyl-5-methoxybenzene-1,2-diamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCNC1=C(C=CC(=C1)OC)N
InChI
InChI=1S/C9H14N2O/c1-3-11-9-6-7(12-2)4-5-8(9)10/h4-6,11H,3,10H2,1-2H3
InChIKey
HCJBZTPXCAGEML-UHFFFAOYSA-N
Compound name
2-N-ethyl-4-methoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

44
Patents

166.11061 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 135.0
[M+Na]+ 189.099828 142.6
[M-H]- 165.103334 138.6
[M+NH4]+ 184.144433 155.3
[M+K]+ 205.073768 140.7
[M+H-H2O]+ 149.107870 128.9
[M+HCOO]- 211.108811 161.2
[M+CH3COO]- 225.124461 184.7
[M+Na-2H]- 187.085276 141.3
[M]+ 166.11006142 134.6
[M]- 166.11115858 134.6
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