CID 165780060

2751610-42-9

Structural Information

Molecular Formula
C10H15NO3
SMILES
CC(C)(C)OC(=O)N(C)CC#CC=O
InChI
InChI=1S/C10H15NO3/c1-10(2,3)14-9(13)11(4)7-5-6-8-12/h8H,7H2,1-4H3
InChIKey
MSZFVIKWKKQAFU-UHFFFAOYSA-N
Compound name
tert-butyl N-methyl-N-(4-oxobut-2-ynyl)carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.1052 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.11248 144.2
[M+Na]+ 220.09442 152.3
[M+NH4]+ 215.13902 146.7
[M+K]+ 236.06836 145.8
[M-H]- 196.09792 134.6
[M+Na-2H]- 218.07987 143.7
[M]+ 197.10465 141.5
[M]- 197.10575 141.5
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.