CID 109995

68298-47-5

Structural Information

Molecular Formula

C₁₀H₁₁N₂O

SMILES

CC1(CC2=C(O1)C(=CC=C2)[N+]#N)C

InChI

InChI=1S/C10H11N2O/c1-10(2)6-7-4-3-5-8(12-11)9(7)13-10/h3-5H,6H2,1-2H3/q+1

InChIKey

NPGWDPLFDWICIJ-UHFFFAOYSA-N

Compound name

2,2-dimethyl-3H-1-benzofuran-7-diazonium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 175.08714 Da
Monoisotopic Mass: 3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	176.09442	137.6
[M+Na]+	198.07636	149.9
[M-H]-	174.07986	144.0
[M+NH4]+	193.12096	159.4
[M+K]+	214.05030	141.6
[M+H-H2O]+	158.08440	128.4
[M+HCOO]-	220.08534	158.8
[M+CH3COO]-	234.10099	190.5
[M+Na-2H]-	196.06181	147.7
[M]+	175.08659	133.8
[M]-	175.08769	133.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe