CID 12413507

1-(2-methoxyphenyl)ethane-1,2-diamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
COC1=CC=CC=C1C(CN)N
InChI
InChI=1S/C9H14N2O/c1-12-9-5-3-2-4-7(9)8(11)6-10/h2-5,8H,6,10-11H2,1H3
InChIKey
XUBNIEXLYZKEQM-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 136.2
[M+Na]+ 189.099828 142.6
[M-H]- 165.103334 139.0
[M+NH4]+ 184.144433 155.8
[M+K]+ 205.073768 140.9
[M+H-H2O]+ 149.107870 130.0
[M+HCOO]- 211.108811 160.8
[M+CH3COO]- 225.124461 183.8
[M+Na-2H]- 187.085276 140.9
[M]+ 166.11006142 133.8
[M]- 166.11115858 133.8
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