CID 20911

Niagara 10586

Structural Information

Molecular Formula
C13H17NO3
SMILES
CC1=C2CC(OC2=C(C=C1)OC(=O)NC)(C)C
InChI
InChI=1S/C13H17NO3/c1-8-5-6-10(16-12(15)14-4)11-9(8)7-13(2,3)17-11/h5-6H,7H2,1-4H3,(H,14,15)
InChIKey
FMGLKNCPXAFVRR-UHFFFAOYSA-N
Compound name
(2,2,4-trimethyl-3H-1-benzofuran-7-yl) N-methylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

235.12085 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12813 151.4
[M+Na]+ 258.11007 160.4
[M-H]- 234.11357 157.3
[M+NH4]+ 253.15467 173.2
[M+K]+ 274.08401 159.6
[M+H-H2O]+ 218.11811 146.7
[M+HCOO]- 280.11905 173.8
[M+CH3COO]- 294.13470 193.9
[M+Na-2H]- 256.09552 156.7
[M]+ 235.12030 155.1
[M]- 235.12140 155.1
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