CID 48651

66967-78-0

Structural Information

Molecular Formula
C13H22NO
SMILES
CC1=CC(=C(C=C1[N+](C)(C)C)C(C)C)O
InChI
InChI=1S/C13H21NO/c1-9(2)11-8-12(14(4,5)6)10(3)7-13(11)15/h7-9H,1-6H3/p+1
InChIKey
ACUMGVFSGZDODO-UHFFFAOYSA-O
Compound name
(4-hydroxy-2-methyl-5-propan-2-ylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

208.17014 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 209.177416 145.3
[M+Na]+ 231.159358 153.1
[M-H]- 207.162864 149.9
[M+NH4]+ 226.203963 164.9
[M+K]+ 247.133298 146.0
[M+H-H2O]+ 191.167400 143.1
[M+HCOO]- 253.168341 166.8
[M+CH3COO]- 267.183991 188.1
[M+Na-2H]- 229.144806 151.7
[M]+ 208.16959142 145.7
[M]- 208.17068858 145.7
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

patents stripe