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 165.0
[M+Na]+ 312.08425 175.5
[M-H]- 288.08775 169.9
[M+NH4]+ 307.12885 181.0
[M+K]+ 328.05819 173.6
[M+H-H2O]+ 272.09229 153.3
[M+HCOO]- 334.09323 180.2
[M+CH3COO]- 348.10888 210.1
[M+Na-2H]- 310.06970 167.9
[M]+ 289.09448 165.4
[M]- 289.09558 165.4
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

patents stripe