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

6
Patents

270.1135 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.120776 163.4
[M+Na]+ 293.102718 169.4
[M-H]- 269.106224 166.4
[M+NH4]+ 288.147323 180.1
[M+K]+ 309.076658 166.1
[M+H-H2O]+ 253.110760 157.9
[M+HCOO]- 315.111701 180.7
[M+CH3COO]- 329.127351 200.8
[M+Na-2H]- 291.088166 166.0
[M]+ 270.11295142 164.9
[M]- 270.11404858 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