CID 545985

Tert-butyl 3-methyl-1-oxobutan-2-ylcarbamate

Structural Information

Molecular Formula
C10H19NO3
SMILES
CC(C)C(C=O)NC(=O)OC(C)(C)C
InChI
InChI=1S/C10H19NO3/c1-7(2)8(6-12)11-9(13)14-10(3,4)5/h6-8H,1-5H3,(H,11,13)
InChIKey
YMNBXYLOSIKZGL-UHFFFAOYSA-N
Compound name
tert-butyl N-(3-methyl-1-oxobutan-2-yl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

186
Patents

201.13649 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 202.14377 147.5
[M+Na]+ 224.12571 152.8
[M-H]- 200.12921 147.7
[M+NH4]+ 219.17031 166.6
[M+K]+ 240.09965 153.6
[M+H-H2O]+ 184.13375 142.7
[M+HCOO]- 246.13469 167.7
[M+CH3COO]- 260.15034 189.1
[M+Na-2H]- 222.11116 149.8
[M]+ 201.13594 149.8
[M]- 201.13704 149.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe