CID 153707036

Schembl28333323

Structural Information

Molecular Formula
C9H11NO3
SMILES
CC(=O)ONC1=CC=CC=C1OC
InChI
InChI=1S/C9H11NO3/c1-7(11)13-10-8-5-3-4-6-9(8)12-2/h3-6,10H,1-2H3
InChIKey
BHCWTPPZVHKEHF-UHFFFAOYSA-N
Compound name
(2-methoxyanilino) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

181.0739 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.08118 136.2
[M+Na]+ 204.06312 143.6
[M-H]- 180.06662 140.2
[M+NH4]+ 199.10772 156.0
[M+K]+ 220.03706 143.2
[M+H-H2O]+ 164.07116 130.0
[M+HCOO]- 226.07210 161.7
[M+CH3COO]- 240.08775 182.7
[M+Na-2H]- 202.04857 142.8
[M]+ 181.07335 138.6
[M]- 181.07445 138.6
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.