CID 122199098

Tert-butyl n-(1-amino-3-ethylpentan-3-yl)carbamate

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CCC(CC)(CCN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H26N2O2/c1-6-12(7-2,8-9-13)14-10(15)16-11(3,4)5/h6-9,13H2,1-5H3,(H,14,15)
InChIKey
BBWWWPBJGDIZBR-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-ethylpentan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

230.19943 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.206706 159.2
[M+Na]+ 253.188648 163.3
[M-H]- 229.192154 158.5
[M+NH4]+ 248.233253 176.8
[M+K]+ 269.162588 162.8
[M+H-H2O]+ 213.196690 154.0
[M+HCOO]- 275.197631 179.0
[M+CH3COO]- 289.213281 197.1
[M+Na-2H]- 251.174096 162.8
[M]+ 230.19888142 160.3
[M]- 230.19997858 160.3
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

patents stripe