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]+ 198.112476 145.9
[M+Na]+ 220.094418 154.2
[M-H]- 196.097924 146.9
[M+NH4]+ 215.139023 163.8
[M+K]+ 236.068358 154.4
[M+H-H2O]+ 180.102460 134.9
[M+HCOO]- 242.103401 163.1
[M+CH3COO]- 256.119051 195.2
[M+Na-2H]- 218.079866 149.2
[M]+ 197.10465142 144.2
[M]- 197.10574858 144.2
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.