CID 165622318

Tert-butyl n-[2-amino-2-(2,3-dichlorophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H18Cl2N2O2
SMILES
CC(C)(C)OC(=O)NCC(C1=C(C(=CC=C1)Cl)Cl)N
InChI
InChI=1S/C13H18Cl2N2O2/c1-13(2,3)19-12(18)17-7-10(16)8-5-4-6-9(14)11(8)15/h4-6,10H,7,16H2,1-3H3,(H,17,18)
InChIKey
WIRIJASWIBMBSA-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-2-(2,3-dichlorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

304.07452 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.081796 169.1
[M+Na]+ 327.063738 176.4
[M-H]- 303.067244 171.9
[M+NH4]+ 322.108343 185.2
[M+K]+ 343.037678 171.7
[M+H-H2O]+ 287.071780 164.8
[M+HCOO]- 349.072721 181.4
[M+CH3COO]- 363.088371 206.3
[M+Na-2H]- 325.049186 170.4
[M]+ 304.07397142 172.2
[M]- 304.07506858 172.2
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.