CID 46031

Refchem:1067227

Structural Information

Molecular Formula
C12H20NO
SMILES
CC(C)C1=C(C=CC(=C1)O)[N+](C)(C)C
InChI
InChI=1S/C12H19NO/c1-9(2)11-8-10(14)6-7-12(11)13(3,4)5/h6-9H,1-5H3/p+1
InChIKey
LHQBJZSBMYJOFB-UHFFFAOYSA-O
Compound name
(4-hydroxy-2-propan-2-ylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.161776 141.6
[M+Na]+ 217.143718 148.9
[M-H]- 193.147224 146.0
[M+NH4]+ 212.188323 161.5
[M+K]+ 233.117658 142.0
[M+H-H2O]+ 177.151760 139.3
[M+HCOO]- 239.152701 163.5
[M+CH3COO]- 253.168351 183.9
[M+Na-2H]- 215.129166 149.1
[M]+ 194.15395142 141.3
[M]- 194.15504858 141.3
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.