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 163.7
[M-H]- 250.10847 161.7
[M+NH4]+ 269.14957 175.1
[M+K]+ 290.07891 164.4
[M+H-H2O]+ 234.11301 150.6
[M+HCOO]- 296.11395 177.2
[M+CH3COO]- 310.12960 195.0
[M+Na-2H]- 272.09042 162.4
[M]+ 251.11520 161.0
[M]- 251.11630 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