CID 48686

66967-99-5

Structural Information

Molecular Formula
C10H16NO
SMILES
CC1=CC(=CC(=C1)O)[N+](C)(C)C
InChI
InChI=1S/C10H15NO/c1-8-5-9(11(2,3)4)7-10(12)6-8/h5-7H,1-4H3/p+1
InChIKey
SKAJYBWQOLBZCJ-UHFFFAOYSA-O
Compound name
(3-hydroxy-5-methylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.12318 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.13046 132.5
[M+Na]+ 189.11240 140.9
[M-H]- 165.11590 137.3
[M+NH4]+ 184.15700 153.7
[M+K]+ 205.08634 134.1
[M+H-H2O]+ 149.12044 130.6
[M+HCOO]- 211.12138 156.1
[M+CH3COO]- 225.13703 177.0
[M+Na-2H]- 187.09785 142.4
[M]+ 166.12263 132.2
[M]- 166.12373 132.2
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.