CID 165723385

En300-1899973

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CCC(C)(C)C(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H26N2O2/c1-7-12(5,6)9(8-13)14-10(15)16-11(2,3)4/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKey
YICPBSXPPTZXAD-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3,3-dimethylpentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

230.19943 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.20671 158.9
[M+Na]+ 253.18865 162.8
[M-H]- 229.19215 158.3
[M+NH4]+ 248.23325 176.4
[M+K]+ 269.16259 162.9
[M+H-H2O]+ 213.19669 153.9
[M+HCOO]- 275.19763 177.8
[M+CH3COO]- 289.21328 197.9
[M+Na-2H]- 251.17410 161.3
[M]+ 230.19888 159.4
[M]- 230.19998 159.4
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.