CID 60795561

2803861-62-1

Structural Information

Molecular Formula
C10H11Cl2NO2
SMILES
CC(C1=CC(=C(C=C1)Cl)Cl)(C(=O)OC)N
InChI
InChI=1S/C10H11Cl2NO2/c1-10(13,9(14)15-2)6-3-4-7(11)8(12)5-6/h3-5H,13H2,1-2H3
InChIKey
BYWKSTSGBJNLMJ-UHFFFAOYSA-N
Compound name
methyl 2-amino-2-(3,4-dichlorophenyl)propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.01668 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.02396 150.1
[M+Na]+ 270.00590 159.7
[M-H]- 246.00940 153.3
[M+NH4]+ 265.05050 168.7
[M+K]+ 285.97984 155.0
[M+H-H2O]+ 230.01394 146.5
[M+HCOO]- 292.01488 163.3
[M+CH3COO]- 306.03053 192.9
[M+Na-2H]- 267.99135 153.9
[M]+ 247.01613 153.5
[M]- 247.01723 153.5
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.