CID 20924

4790-88-9

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)C)C
InChI
InChI=1S/C13H17NO3/c1-13(2)8-9-6-5-7-10(11(9)17-13)16-12(15)14(3)4/h5-7H,8H2,1-4H3
InChIKey
MITWTLRVHJJPSO-UHFFFAOYSA-N
Compound name
(2,2-dimethyl-3H-1-benzofuran-7-yl) N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.12085 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.128126 151.9
[M+Na]+ 258.110068 160.1
[M-H]- 234.113574 158.9
[M+NH4]+ 253.154673 174.0
[M+K]+ 274.084008 160.7
[M+H-H2O]+ 218.118110 146.8
[M+HCOO]- 280.119051 174.8
[M+CH3COO]- 294.134701 196.1
[M+Na-2H]- 256.095516 157.0
[M]+ 235.12030142 156.4
[M]- 235.12139858 156.4
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

No patent data available for this compound.