CID 45984

63981-65-7

Structural Information

Molecular Formula
C11H18NO
SMILES
CC1=CC(=C(C(=C1)[N+](C)(C)C)O)C
InChI
InChI=1S/C11H17NO/c1-8-6-9(2)11(13)10(7-8)12(3,4)5/h6-7H,1-5H3/p+1
InChIKey
HQLMBNUUZGWLEM-UHFFFAOYSA-O
Compound name
(2-hydroxy-3,5-dimethylphenyl)-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.13884 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.146116 136.4
[M+Na]+ 203.128058 145.3
[M-H]- 179.131564 141.3
[M+NH4]+ 198.172663 157.2
[M+K]+ 219.101998 138.2
[M+H-H2O]+ 163.136100 134.5
[M+HCOO]- 225.137041 159.6
[M+CH3COO]- 239.152691 181.2
[M+Na-2H]- 201.113506 145.1
[M]+ 180.13829142 136.7
[M]- 180.13938858 136.7
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

No patent data available for this compound.