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

1308
Patents

180.13884 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.146116 138.3
[M+Na]+ 203.128058 145.3
[M-H]- 179.131564 142.4
[M+NH4]+ 198.172663 158.5
[M+K]+ 219.101998 138.1
[M+H-H2O]+ 163.136100 135.8
[M+HCOO]- 225.137041 161.5
[M+CH3COO]- 239.152691 179.0
[M+Na-2H]- 201.113506 148.1
[M]+ 180.13829142 137.9
[M]- 180.13938858 137.9
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