CID 56686932

Tert-butyl n-[2-amino-1-(3-chlorophenyl)ethyl]carbamate

Structural Information

Molecular Formula
C13H19ClN2O2
SMILES
CC(C)(C)OC(=O)NC(CN)C1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H19ClN2O2/c1-13(2,3)18-12(17)16-11(8-15)9-5-4-6-10(14)7-9/h4-7,11H,8,15H2,1-3H3,(H,16,17)
InChIKey
PIRAUBOLNUUZIV-UHFFFAOYSA-N
Compound name
tert-butyl N-[2-amino-1-(3-chlorophenyl)ethyl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

270.1135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.12078 163.4
[M+Na]+ 293.10272 169.4
[M-H]- 269.10622 166.4
[M+NH4]+ 288.14732 180.1
[M+K]+ 309.07666 166.1
[M+H-H2O]+ 253.11076 157.9
[M+HCOO]- 315.11170 180.7
[M+CH3COO]- 329.12735 200.8
[M+Na-2H]- 291.08817 166.0
[M]+ 270.11295 164.9
[M]- 270.11405 164.9
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