CID 3019946

(2,4-diaminophenoxy)acetic acid

Structural Information

Molecular Formula
C8H10N2O3
SMILES
C1=CC(=C(C=C1N)N)OCC(=O)O
InChI
InChI=1S/C8H10N2O3/c9-5-1-2-7(6(10)3-5)13-4-8(11)12/h1-3H,4,9-10H2,(H,11,12)
InChIKey
UEANEAODIZOETQ-UHFFFAOYSA-N
Compound name
2-(2,4-diaminophenoxy)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1753
Patents

182.06914 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 183.076416 136.4
[M+Na]+ 205.058358 143.8
[M-H]- 181.061864 138.4
[M+NH4]+ 200.102963 154.7
[M+K]+ 221.032298 142.0
[M+H-H2O]+ 165.066400 130.3
[M+HCOO]- 227.067341 160.4
[M+CH3COO]- 241.082991 183.1
[M+Na-2H]- 203.043806 140.4
[M]+ 182.06859142 134.3
[M]- 182.06968858 134.3
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

No patent data available for this compound.