CID 14352056

Tert-butyl n-(3-oxobutan-2-yl)carbamate

Structural Information

Molecular Formula
C9H17NO3
SMILES
CC(C(=O)C)NC(=O)OC(C)(C)C
InChI
InChI=1S/C9H17NO3/c1-6(7(2)11)10-8(12)13-9(3,4)5/h6H,1-5H3,(H,10,12)
InChIKey
NUAKKRMYBBXGFP-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

292
Patents

187.12085 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.128126 142.7
[M+Na]+ 210.110068 148.5
[M-H]- 186.113574 143.2
[M+NH4]+ 205.154673 162.4
[M+K]+ 226.084008 149.5
[M+H-H2O]+ 170.118110 138.2
[M+HCOO]- 232.119051 163.3
[M+CH3COO]- 246.134701 186.0
[M+Na-2H]- 208.095516 145.6
[M]+ 187.12030142 144.7
[M]- 187.12139858 144.7
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

patents stripe