CID 211259

22791-34-0

Structural Information

Molecular Formula
C15H15NO5
SMILES
CC(=O)N(CC#C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C15H15NO5/c1-5-9-16(10(2)17)14(18)19-11-7-6-8-12-13(11)21-15(3,4)20-12/h1,6-8H,9H2,2-4H3
InChIKey
MEJKGKQUWQFGMV-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-acetyl-N-prop-2-ynylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.09503 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.10231 162.6
[M+Na]+ 312.08425 172.0
[M+NH4]+ 307.12885 166.3
[M+K]+ 328.05819 165.6
[M-H]- 288.08775 157.0
[M+Na-2H]- 310.06970 162.7
[M]+ 289.09448 161.4
[M]- 289.09558 161.4
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.