CID 84726053

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

Structural Information

Molecular Formula
C12H24N2O2
SMILES
CC(C)(C)OC(=O)NC(CC1CCC1)CN
InChI
InChI=1S/C12H24N2O2/c1-12(2,3)16-11(15)14-10(8-13)7-9-5-4-6-9/h9-10H,4-8,13H2,1-3H3,(H,14,15)
InChIKey
ITLMMEGPIZCWQQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-cyclobutylpropan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.18378 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.19106 162.1
[M+Na]+ 251.17300 163.0
[M-H]- 227.17650 163.9
[M+NH4]+ 246.21760 172.5
[M+K]+ 267.14694 165.9
[M+H-H2O]+ 211.18104 149.8
[M+HCOO]- 273.18198 180.2
[M+CH3COO]- 287.19763 198.4
[M+Na-2H]- 249.15845 162.5
[M]+ 228.18323 168.4
[M]- 228.18433 168.4
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.