CID 34080

(3-(p-hydroxyphenyl)propyl)trimethylammonium iodide

Structural Information

Molecular Formula
C12H20NO
SMILES
C[N+](C)(C)CCCC1=CC=C(C=C1)O
InChI
InChI=1S/C12H19NO/c1-13(2,3)10-4-5-11-6-8-12(14)9-7-11/h6-9H,4-5,10H2,1-3H3/p+1
InChIKey
QLZJJUCIDNGAKG-UHFFFAOYSA-O
Compound name
3-(4-hydroxyphenyl)propyl-trimethylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.1545 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.161776 143.1
[M+Na]+ 217.143718 149.6
[M-H]- 193.147224 147.0
[M+NH4]+ 212.188323 162.7
[M+K]+ 233.117658 142.2
[M+H-H2O]+ 177.151760 140.4
[M+HCOO]- 239.152701 165.9
[M+CH3COO]- 253.168351 182.1
[M+Na-2H]- 215.129166 152.4
[M]+ 194.15395142 143.0
[M]- 194.15504858 143.0
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.