CID 33682

Dtxsid80949822

Structural Information

Molecular Formula
C12H20NO
SMILES
CC[N+](CC)(CC)C1=CC(=CC=C1)O
InChI
InChI=1S/C12H19NO/c1-4-13(5-2,6-3)11-8-7-9-12(14)10-11/h7-10H,4-6H2,1-3H3/p+1
InChIKey
CYKLMMLDTNBEGG-UHFFFAOYSA-O
Compound name
triethyl-(3-hydroxyphenyl)azanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

9
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 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

literature stripe

Patent stripe

patents stripe