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]+ 230.05785 146.8
[M+Na]+ 252.03979 155.3
[M-H]- 228.04329 150.5
[M+NH4]+ 247.08439 165.6
[M+K]+ 268.01373 152.8
[M+H-H2O]+ 212.04783 141.9
[M+HCOO]- 274.04877 165.9
[M+CH3COO]- 288.06442 191.0
[M+Na-2H]- 250.02524 149.5
[M]+ 229.05002 150.5
[M]- 229.05112 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.