CID 102537977

Tert-butyl n-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate

Structural Information

Molecular Formula
C16H26N2O2
SMILES
CC(C)C(C(C1=CC=CC=C1)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C16H26N2O2/c1-11(2)14(18-15(19)20-16(3,4)5)13(17)12-9-7-6-8-10-12/h6-11,13-14H,17H2,1-5H3,(H,18,19)
InChIKey
JIMJVFSLVVNKKW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-methyl-1-phenylbutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.19943 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.20671 170.6
[M+Na]+ 301.18865 173.1
[M-H]- 277.19215 172.9
[M+NH4]+ 296.23325 185.6
[M+K]+ 317.16259 172.3
[M+H-H2O]+ 261.19669 163.7
[M+HCOO]- 323.19763 189.4
[M+CH3COO]- 337.21328 206.7
[M+Na-2H]- 299.17410 170.4
[M]+ 278.19888 169.4
[M]- 278.19998 169.4
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.