CID 132398866

Tert-butyl n-(5,5-dimethyl-1-oxohexan-3-yl)carbamate

Structural Information

Molecular Formula
C13H25NO3
SMILES
CC(C)(C)CC(CC=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C13H25NO3/c1-12(2,3)9-10(7-8-15)14-11(16)17-13(4,5)6/h8,10H,7,9H2,1-6H3,(H,14,16)
InChIKey
ASVYJCJXBYNYKQ-UHFFFAOYSA-N
Compound name
tert-butyl N-(5,5-dimethyl-1-oxohexan-3-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

243.18344 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.19072 160.3
[M+Na]+ 266.17266 166.7
[M+NH4]+ 261.21726 165.1
[M+K]+ 282.14660 164.1
[M-H]- 242.17616 157.2
[M+Na-2H]- 264.15811 160.9
[M]+ 243.18289 160.0
[M]- 243.18399 160.0
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.