CID 2818159

96928-99-3

Structural Information

Molecular Formula
C11H22N2O3
SMILES
CC(C)CC(C(=O)N)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H22N2O3/c1-7(2)6-8(9(12)14)13-10(15)16-11(3,4)5/h7-8H,6H2,1-5H3,(H2,12,14)(H,13,15)
InChIKey
LJPDJTPZNJKXPW-UHFFFAOYSA-N
Compound name
tert-butyl N-(1-amino-4-methyl-1-oxopentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

25
Patents

230.16304 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 231.170316 156.8
[M+Na]+ 253.152258 160.5
[M-H]- 229.155764 156.3
[M+NH4]+ 248.196863 174.0
[M+K]+ 269.126198 161.4
[M+H-H2O]+ 213.160300 151.3
[M+HCOO]- 275.161241 176.1
[M+CH3COO]- 289.176891 197.5
[M+Na-2H]- 251.137706 156.5
[M]+ 230.16249142 156.9
[M]- 230.16358858 156.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe