CID 4564956

350480-54-5

Structural Information

Molecular Formula
C10H12ClNO3
SMILES
COC1=C(C=C(C=C1)C(C(=O)OC)N)Cl
InChI
InChI=1S/C10H12ClNO3/c1-14-8-4-3-6(5-7(8)11)9(12)10(13)15-2/h3-5,9H,12H2,1-2H3
InChIKey
PUVDZKSTEYEUPO-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3-chloro-4-methoxyphenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.05057 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.057846 146.8
[M+Na]+ 252.039788 155.3
[M-H]- 228.043294 150.5
[M+NH4]+ 247.084393 165.6
[M+K]+ 268.013728 152.8
[M+H-H2O]+ 212.047830 141.9
[M+HCOO]- 274.048771 165.9
[M+CH3COO]- 288.064421 191.0
[M+Na-2H]- 250.025236 149.5
[M]+ 229.05002142 150.5
[M]- 229.05111858 150.5
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.