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]+ 236.12813 151.9
[M+Na]+ 258.11007 160.1
[M-H]- 234.11357 158.9
[M+NH4]+ 253.15467 174.0
[M+K]+ 274.08401 160.7
[M+H-H2O]+ 218.11811 146.8
[M+HCOO]- 280.11905 174.8
[M+CH3COO]- 294.13470 196.1
[M+Na-2H]- 256.09552 157.0
[M]+ 235.12030 156.4
[M]- 235.12140 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.