CID 92054

4-propoxybenzene-1,2-diamine

Structural Information

Molecular Formula
C9H14N2O
SMILES
CCCOC1=CC(=C(C=C1)N)N
InChI
InChI=1S/C9H14N2O/c1-2-5-12-7-3-4-8(10)9(11)6-7/h3-4,6H,2,5,10-11H2,1H3
InChIKey
UUAOMJOZLSTWIP-UHFFFAOYSA-N
Compound name
4-propoxybenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
Patents

166.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.117886 135.4
[M+Na]+ 189.099828 143.0
[M-H]- 165.103334 138.6
[M+NH4]+ 184.144433 155.4
[M+K]+ 205.073768 140.8
[M+H-H2O]+ 149.107870 129.4
[M+HCOO]- 211.108811 161.0
[M+CH3COO]- 225.124461 184.1
[M+Na-2H]- 187.085276 140.6
[M]+ 166.11006142 134.0
[M]- 166.11115858 134.0
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