CID 35833

31537-99-2

Structural Information

Molecular Formula
C12H16NO2
SMILES
CC1C(=O)C2=C(O1)C(=CC=C2)[N+](C)(C)C
InChI
InChI=1S/C12H16NO2/c1-8-11(14)9-6-5-7-10(12(9)15-8)13(2,3)4/h5-8H,1-4H3/q+1
InChIKey
XCTIOJDKMUZCTQ-UHFFFAOYSA-N
Compound name
trimethyl-(2-methyl-3-oxo-1-benzofuran-7-yl)azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

206.1181 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.12538 141.8
[M+Na]+ 229.10732 151.1
[M-H]- 205.11082 149.3
[M+NH4]+ 224.15192 163.5
[M+K]+ 245.08126 145.0
[M+H-H2O]+ 189.11536 139.9
[M+HCOO]- 251.11630 164.8
[M+CH3COO]- 265.13195 185.7
[M+Na-2H]- 227.09277 151.5
[M]+ 206.11755 143.7
[M]- 206.11865 143.7
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.