CID 126819996

Tert-butyl n-methyl-n-(2-oxobut-3-yn-1-yl)carbamate

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)N(C)CC(=O)C#C
InChI
InChI=1S/C10H15NO3/c1-6-8(12)7-11(5)9(13)14-10(2,3)4/h1H,7H2,2-5H3
InChIKey
HANRKFJJWBZROT-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(2-oxobut-3-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 145.7
[M+Na]+ 220.09442 153.6
[M-H]- 196.09792 146.7
[M+NH4]+ 215.13902 163.4
[M+K]+ 236.06836 154.2
[M+H-H2O]+ 180.10246 134.8
[M+HCOO]- 242.10340 162.0
[M+CH3COO]- 256.11905 197.2
[M+Na-2H]- 218.07987 147.9
[M]+ 197.10465 143.6
[M]- 197.10575 143.6
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.