CID 62314688

Tert-butyl (1-amino-3-ethylpentan-2-yl)carbamate

Structural Information

Molecular Formula
C12H26N2O2
SMILES
CCC(CC)C(CN)NC(=O)OC(C)(C)C
InChI
InChI=1S/C12H26N2O2/c1-6-9(7-2)10(8-13)14-11(15)16-12(3,4)5/h9-10H,6-8,13H2,1-5H3,(H,14,15)
InChIKey
CFLRUVMDIYLFTI-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-3-ethylpentan-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 160.6
[M+Na]+ 253.18865 163.8
[M-H]- 229.19215 159.8
[M+NH4]+ 248.23325 178.0
[M+K]+ 269.16259 164.0
[M+H-H2O]+ 213.19669 154.9
[M+HCOO]- 275.19763 180.0
[M+CH3COO]- 289.21328 198.4
[M+Na-2H]- 251.17410 160.7
[M]+ 230.19888 160.9
[M]- 230.19998 160.9
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.