CID 10261452

56436-25-0

Structural Information

Molecular Formula
C9H14N2O
SMILES
COCCNC1=CC=CC=C1N
InChI
InChI=1S/C9H14N2O/c1-12-7-6-11-9-5-3-2-4-8(9)10/h2-5,11H,6-7,10H2,1H3
InChIKey
KMEAJFHRQKGXHE-UHFFFAOYSA-N
Compound name
2-N-(2-methoxyethyl)benzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

43
Patents

166.11061 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 134.9
[M+Na]+ 189.099828 141.4
[M-H]- 165.103334 138.1
[M+NH4]+ 184.144433 154.8
[M+K]+ 205.073768 139.6
[M+H-H2O]+ 149.107870 128.5
[M+HCOO]- 211.108811 161.1
[M+CH3COO]- 225.124461 183.6
[M+Na-2H]- 187.085276 141.9
[M]+ 166.11006142 134.1
[M]- 166.11115858 134.1
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