CID 38450

Carbamic acid, methyl(1-oxobutyl)-, 2,2-dimethyl-1,3-benzodioxol-4-yl ester

Structural Information

Molecular Formula
C15H19NO5
SMILES
CCCC(=O)N(C)C(=O)OC1=CC=CC2=C1OC(O2)(C)C
InChI
InChI=1S/C15H19NO5/c1-5-7-12(17)16(4)14(18)19-10-8-6-9-11-13(10)21-15(2,3)20-11/h6,8-9H,5,7H2,1-4H3
InChIKey
QMNOSNZAYYYCKM-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-1,3-benzodioxol-4-yl) N-butanoyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 166.1
[M+Na]+ 316.11552 175.4
[M+NH4]+ 311.16012 173.6
[M+K]+ 332.08946 172.3
[M-H]- 292.11902 169.1
[M+Na-2H]- 314.10097 169.0
[M]+ 293.12575 168.2
[M]- 293.12685 168.2
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.