CID 218205

40374-20-7

Structural Information

Molecular Formula
C15H17NO5
SMILES
CC(=O)N(CC=C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C15H17NO5/c1-5-9-16(10(2)17)14(18)19-11-7-6-8-12-13(11)21-15(3,4)20-12/h5-8H,1,9H2,2-4H3
InChIKey
IXEAIQUGHDOTLR-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-acetyl-N-prop-2-enylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.1107 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.11798 165.6
[M+Na]+ 314.09992 173.2
[M-H]- 290.10342 173.0
[M+NH4]+ 309.14452 183.8
[M+K]+ 330.07386 174.8
[M+H-H2O]+ 274.10796 160.5
[M+HCOO]- 336.10890 186.6
[M+CH3COO]- 350.12455 205.4
[M+Na-2H]- 312.08537 169.7
[M]+ 291.11015 172.3
[M]- 291.11125 172.3
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.