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

51
Patents

166.11061 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.11789 135.4
[M+Na]+ 189.09983 143.0
[M-H]- 165.10333 138.6
[M+NH4]+ 184.14443 155.4
[M+K]+ 205.07377 140.8
[M+H-H2O]+ 149.10787 129.4
[M+HCOO]- 211.10881 161.0
[M+CH3COO]- 225.12446 184.1
[M+Na-2H]- 187.08528 140.6
[M]+ 166.11006 134.0
[M]- 166.11116 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