CID 10678961

Methyl 2-(3-aminophenoxy)acetate

Structural Information

Molecular Formula
C9H11NO3
SMILES
COC(=O)COC1=CC=CC(=C1)N
InChI
InChI=1S/C9H11NO3/c1-12-9(11)6-13-8-4-2-3-7(10)5-8/h2-5H,6,10H2,1H3
InChIKey
XENTXTUUBRDTST-UHFFFAOYSA-N
Compound name
methyl 2-(3-aminophenoxy)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

90
Patents

181.0739 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.8
[M+Na]+ 204.06312 144.2
[M-H]- 180.06662 140.2
[M+NH4]+ 199.10772 156.3
[M+K]+ 220.03706 143.4
[M+H-H2O]+ 164.07116 130.6
[M+HCOO]- 226.07210 161.7
[M+CH3COO]- 240.08775 182.0
[M+Na-2H]- 202.04857 142.3
[M]+ 181.07335 138.2
[M]- 181.07445 138.2
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