CID 38449

Brn 1318969

Structural Information

Molecular Formula
C13H17NO4
SMILES
CCC1(OC2=C(O1)C(=CC=C2)OC(=O)NC)CC
InChI
InChI=1S/C13H17NO4/c1-4-13(5-2)17-10-8-6-7-9(11(10)18-13)16-12(15)14-3/h6-8H,4-5H2,1-3H3,(H,14,15)
InChIKey
KVNDSAYQVIIYLJ-UHFFFAOYSA-N
Compound name
(2,2-diethyl-1,3-benzodioxol-4-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

251.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.123026 155.7
[M+Na]+ 274.104968 163.7
[M-H]- 250.108474 161.7
[M+NH4]+ 269.149573 175.1
[M+K]+ 290.078908 164.4
[M+H-H2O]+ 234.113010 150.6
[M+HCOO]- 296.113951 177.2
[M+CH3COO]- 310.129601 195.0
[M+Na-2H]- 272.090416 162.4
[M]+ 251.11520142 161.0
[M]- 251.11629858 161.0
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