CID 116861040

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

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CC(C)(C)CC(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H26N2O2/c1-11(2,3)7-9(8-13)14-10(15)16-12(4,5)6/h9H,7-8,13H2,1-6H3,(H,14,15)
InChIKey
QSBBCCXGVCVZEV-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-4,4-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 159.1
[M+Na]+ 253.18865 163.1
[M-H]- 229.19215 158.6
[M+NH4]+ 248.23325 176.8
[M+K]+ 269.16259 163.2
[M+H-H2O]+ 213.19669 154.1
[M+HCOO]- 275.19763 178.0
[M+CH3COO]- 289.21328 197.3
[M+Na-2H]- 251.17410 161.6
[M]+ 230.19888 159.5
[M]- 230.19998 159.5
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.