CID 211387

22961-83-7

Structural Information

Molecular Formula
C14H17NO5
SMILES
CCC1(OC2=C(O1)C(=CC=C2)OC(=O)N(C)C(=O)C)C
InChI
InChI=1S/C14H17NO5/c1-5-14(3)19-11-8-6-7-10(12(11)20-14)18-13(17)15(4)9(2)16/h6-8H,5H2,1-4H3
InChIKey
YNGLPKKOWRUTDJ-UHFFFAOYSA-N
Compound name
(2-ethyl-2-methyl-1,3-benzodioxol-4-yl) N-acetyl-N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.1107 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.11798 162.2
[M+Na]+ 302.09992 169.9
[M-H]- 278.10342 169.7
[M+NH4]+ 297.14452 180.9
[M+K]+ 318.07386 172.3
[M+H-H2O]+ 262.10796 157.1
[M+HCOO]- 324.10890 183.3
[M+CH3COO]- 338.12455 203.2
[M+Na-2H]- 300.08537 166.7
[M]+ 279.11015 169.2
[M]- 279.11125 169.2
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

patents stripe