CID 218200

2,2-dimethyl-1,3-benzodioxol-4-yl methyl(1-oxopropyl)carbamate

Structural Information

Molecular Formula
C14H17NO5
SMILES
CCC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C14H17NO5/c1-5-11(16)15(4)13(17)18-9-7-6-8-10-12(9)20-14(2,3)19-10/h6-8H,5H2,1-4H3
InChIKey
QEOMZPRRKCOTRN-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-methyl-N-propanoylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

279.1107 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 161.7
[M+Na]+ 302.09992 171.2
[M+NH4]+ 297.14452 169.3
[M+K]+ 318.07386 168.3
[M-H]- 278.10342 164.7
[M+Na-2H]- 300.08537 164.8
[M]+ 279.11015 163.8
[M]- 279.11125 163.8
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