CID 14578674

Tert-butyl n-(2-methyl-1-oxopropan-2-yl)carbamate

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

634
Patents

187.12085 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 188.12813 142.0
[M+Na]+ 210.11007 148.6
[M-H]- 186.11357 142.6
[M+NH4]+ 205.15467 161.9
[M+K]+ 226.08401 149.1
[M+H-H2O]+ 170.11811 138.0
[M+HCOO]- 232.11905 163.0
[M+CH3COO]- 246.13470 184.7
[M+Na-2H]- 208.09552 148.3
[M]+ 187.12030 144.8
[M]- 187.12140 144.8
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