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

2
Patents

293.1263 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.133576 167.0
[M+Na]+ 316.115518 174.3
[M-H]- 292.119024 174.3
[M+NH4]+ 311.160123 185.2
[M+K]+ 332.089458 176.5
[M+H-H2O]+ 276.123560 161.8
[M+HCOO]- 338.124501 187.8
[M+CH3COO]- 352.140151 206.1
[M+Na-2H]- 314.100966 171.0
[M]+ 293.12575142 174.4
[M]- 293.12684858 174.4
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