CID 45496515

1351586-91-8

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

34
Patents

199.04001 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.04729 140.0
[M+Na]+ 222.02923 148.1
[M-H]- 198.03273 143.5
[M+NH4]+ 217.07383 159.7
[M+K]+ 238.00317 145.2
[M+H-H2O]+ 182.03727 135.2
[M+HCOO]- 244.03821 159.2
[M+CH3COO]- 258.05386 184.7
[M+Na-2H]- 220.01468 143.8
[M]+ 199.03946 141.5
[M]- 199.04056 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