CID 165688855

En300-1904383

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]+ 245.22235 163.5
[M+Na]+ 267.20429 167.0
[M-H]- 243.20779 162.7
[M+NH4]+ 262.24889 180.5
[M+K]+ 283.17823 166.8
[M+H-H2O]+ 227.21233 158.3
[M+HCOO]- 289.21327 182.0
[M+CH3COO]- 303.22892 201.0
[M+Na-2H]- 265.18974 165.4
[M]+ 244.21452 164.3
[M]- 244.21562 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.