CID 86082409

870095-46-8

Structural Information

Molecular Formula
C11H21NO3
SMILES
CCC(=O)C(C)(C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C11H21NO3/c1-7-8(13)11(5,6)12-9(14)15-10(2,3)4/h7H2,1-6H3,(H,12,14)
InChIKey
OEUNEZFNOLQMAT-UHFFFAOYSA-N
Compound name
tert-butyl N-(2-methyl-3-oxopentan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

215.15215 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 216.15943 150.6
[M+Na]+ 238.14137 156.1
[M-H]- 214.14487 150.9
[M+NH4]+ 233.18597 169.4
[M+K]+ 254.11531 156.7
[M+H-H2O]+ 198.14941 146.3
[M+HCOO]- 260.15035 170.0
[M+CH3COO]- 274.16600 191.6
[M+Na-2H]- 236.12682 154.8
[M]+ 215.15160 153.5
[M]- 215.15270 153.5
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.