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

0
Patents

251.11575 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.12303 155.7
[M+Na]+ 274.10497 166.1
[M+NH4]+ 269.14957 164.3
[M+K]+ 290.07891 161.5
[M-H]- 250.10847 159.5
[M+Na-2H]- 272.09042 159.7
[M]+ 251.11520 158.2
[M]- 251.11630 158.2
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.