CID 10375676

78950-82-0

Structural Information

Molecular Formula

C₁₃H₁₉NO

SMILES

CCCNC1CCC2=C(C1)C=CC=C2O

InChI

InChI=1S/C13H19NO/c1-2-8-14-11-6-7-12-10(9-11)4-3-5-13(12)15/h3-5,11,14-15H,2,6-9H2,1H3

InChIKey

VCYPZWCFSAHTQT-UHFFFAOYSA-N

Compound name

6-(propylamino)-5,6,7,8-tetrahydronaphthalen-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 87
Patents: 205.14667 Da
Monoisotopic Mass: 2.7
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]+	206.15395	146.0
[M+Na]+	228.13589	151.6
[M-H]-	204.13939	148.5
[M+NH4]+	223.18049	165.3
[M+K]+	244.10983	147.9
[M+H-H2O]+	188.14393	139.9
[M+HCOO]-	250.14487	165.9
[M+CH3COO]-	264.16052	188.1
[M+Na-2H]-	226.12134	151.8
[M]+	205.14612	142.8
[M]-	205.14722	142.8

Literature stripe

literature stripe

Patent stripe

patents stripe