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

16
Patents

166.11061 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 136.2
[M+Na]+ 189.09983 142.6
[M-H]- 165.10333 139.0
[M+NH4]+ 184.14443 155.8
[M+K]+ 205.07377 140.9
[M+H-H2O]+ 149.10787 130.0
[M+HCOO]- 211.10881 160.8
[M+CH3COO]- 225.12446 183.8
[M+Na-2H]- 187.08528 140.9
[M]+ 166.11006 133.8
[M]- 166.11116 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