CID 44151377

74347-14-1

Structural Information

Molecular Formula
C11H16NO
SMILES
CC1=C(C(=C(C=C1)C)O)C=[N+](C)C
InChI
InChI=1S/C11H15NO/c1-8-5-6-9(2)11(13)10(8)7-12(3)4/h5-7H,1-4H3/p+1
InChIKey
MVXLDSTUENVIIM-UHFFFAOYSA-O
Compound name
(2-hydroxy-3,6-dimethylphenyl)methylidene-dimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.12318 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.13046 138.5
[M+Na]+ 201.11240 147.1
[M-H]- 177.11590 143.3
[M+NH4]+ 196.15700 159.0
[M+K]+ 217.08634 139.8
[M+H-H2O]+ 161.12044 135.9
[M+HCOO]- 223.12138 162.6
[M+CH3COO]- 237.13703 180.0
[M+Na-2H]- 199.09785 144.9
[M]+ 178.12263 138.3
[M]- 178.12373 138.3
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.