CID 2763700

43189-43-1

Structural Information

Molecular Formula
C9H10ClNO2
SMILES
COC(=O)C(C1=CC=C(C=C1)Cl)N
InChI
InChI=1S/C9H10ClNO2/c1-13-9(12)8(11)6-2-4-7(10)5-3-6/h2-5,8H,11H2,1H3
InChIKey
WEWZTDMEYWXSRG-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(4-chlorophenyl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

123
Patents

199.04001 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.047286 140.0
[M+Na]+ 222.029228 148.1
[M-H]- 198.032734 143.5
[M+NH4]+ 217.073833 159.7
[M+K]+ 238.003168 145.2
[M+H-H2O]+ 182.037270 135.2
[M+HCOO]- 244.038211 159.2
[M+CH3COO]- 258.053861 184.7
[M+Na-2H]- 220.014676 143.8
[M]+ 199.03946142 141.5
[M]- 199.04055858 141.5
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

patents stripe