CID 31521

22791-26-0

Structural Information

Molecular Formula
C13H15NO4
SMILES
CC1(OC2=C(O1)C(=CC=C2)OC(=O)NCC=C)C
InChI
InChI=1S/C13H15NO4/c1-4-8-14-12(15)16-9-6-5-7-10-11(9)18-13(2,3)17-10/h4-7H,1,8H2,2-3H3,(H,14,15)
InChIKey
SGGUYMMOZARFCS-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

249.10011 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.10739 154.5
[M+Na]+ 272.08933 162.8
[M-H]- 248.09283 160.6
[M+NH4]+ 267.13393 173.9
[M+K]+ 288.06327 162.8
[M+H-H2O]+ 232.09737 149.5
[M+HCOO]- 294.09831 176.2
[M+CH3COO]- 308.11396 194.3
[M+Na-2H]- 270.07478 161.2
[M]+ 249.09956 159.1
[M]- 249.10066 159.1
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.