CID 54918501

Ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate

Structural Information

Molecular Formula
C13H16ClNO2
SMILES
CCOC(=O)C(C1=CC=C(C=C1)Cl)NC2CC2
InChI
InChI=1S/C13H16ClNO2/c1-2-17-13(16)12(15-11-7-8-11)9-3-5-10(14)6-4-9/h3-6,11-12,15H,2,7-8H2,1H3
InChIKey
SSJXGLCMCDFTFC-UHFFFAOYSA-N
Compound name
ethyl 2-(4-chlorophenyl)-2-(cyclopropylamino)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

253.08696 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.09424 151.3
[M+Na]+ 276.07618 159.2
[M-H]- 252.07968 158.3
[M+NH4]+ 271.12078 164.1
[M+K]+ 292.05012 154.8
[M+H-H2O]+ 236.08422 145.0
[M+HCOO]- 298.08516 170.4
[M+CH3COO]- 312.10081 198.4
[M+Na-2H]- 274.06163 154.9
[M]+ 253.08641 156.3
[M]- 253.08751 156.3
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.