CID 165688855

Tert-butyl n-(1-amino-4,4-dimethylhexan-2-yl)carbamate

Structural Information

Molecular Formula
C13H28N2O2
SMILES
CCC(C)(C)CC(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H28N2O2/c1-7-13(5,6)8-10(9-14)15-11(16)17-12(2,3)4/h10H,7-9,14H2,1-6H3,(H,15,16)
InChIKey
VZKUJHMPUVPNLL-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-4,4-dimethylhexan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

244.21507 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.222346 163.5
[M+Na]+ 267.204288 167.0
[M-H]- 243.207794 162.7
[M+NH4]+ 262.248893 180.5
[M+K]+ 283.178228 166.8
[M+H-H2O]+ 227.212330 158.3
[M+HCOO]- 289.213271 182.0
[M+CH3COO]- 303.228921 201.0
[M+Na-2H]- 265.189736 165.4
[M]+ 244.21452142 164.3
[M]- 244.21561858 164.3
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.