CID 10386

Leptodactylin

Structural Information

Molecular Formula

C₁₁H₁₈NO

SMILES

C[N+](C)(C)CCC1=CC(=CC=C1)O

InChI

InChI=1S/C11H17NO/c1-12(2,3)8-7-10-5-4-6-11(13)9-10/h4-6,9H,7-8H2,1-3H3/p+1

InChIKey

VLDBEZDOSUKOBS-UHFFFAOYSA-O

Compound name

2-(3-hydroxyphenyl)ethyl-trimethylazanium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 493
Patents: 180.13884 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	181.14612	138.2
[M+Na]+	203.12806	152.5
[M+NH4]+	198.17266	148.3
[M+K]+	219.10200	146.5
[M-H]-	179.13156	142.7
[M+Na-2H]-	201.11351	146.7
[M]+	180.13829	142.0
[M]-	180.13939	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe