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]+ 244.190716 160.2
[M+Na]+ 266.172658 165.0
[M-H]- 242.176164 160.2
[M+NH4]+ 261.217263 177.9
[M+K]+ 282.146598 165.1
[M+H-H2O]+ 226.180700 155.5
[M+HCOO]- 288.181641 178.9
[M+CH3COO]- 302.197291 197.0
[M+Na-2H]- 264.158106 163.3
[M]+ 243.18289142 163.7
[M]- 243.18398858 163.7
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.