CID 10725881

Tert-butyl n-methyl-n-(2-oxoethyl)carbamate

Structural Information

Molecular Formula
C8H15NO3
SMILES
CC(C)(C)OC(=O)N(C)CC=O
InChI
InChI=1S/C8H15NO3/c1-8(2,3)12-7(11)9(4)5-6-10/h6H,5H2,1-4H3
InChIKey
MSWTVSDFEYSRMQ-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(2-oxoethyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1286
Patents

173.1052 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.11248 137.6
[M+Na]+ 196.09442 144.4
[M-H]- 172.09792 139.6
[M+NH4]+ 191.13902 158.6
[M+K]+ 212.06836 146.1
[M+H-H2O]+ 156.10246 132.9
[M+HCOO]- 218.10340 161.0
[M+CH3COO]- 232.11905 184.8
[M+Na-2H]- 194.07987 142.8
[M]+ 173.10465 141.7
[M]- 173.10575 141.7
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