CID 165622318

En300-1877503

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]+ 305.08180 169.1
[M+Na]+ 327.06374 176.4
[M-H]- 303.06724 171.9
[M+NH4]+ 322.10834 185.2
[M+K]+ 343.03768 171.7
[M+H-H2O]+ 287.07178 164.8
[M+HCOO]- 349.07272 181.4
[M+CH3COO]- 363.08837 206.3
[M+Na-2H]- 325.04919 170.4
[M]+ 304.07397 172.2
[M]- 304.07507 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.