CID 12581171

2-(butylamino)tetralin-5-ol

Structural Information

Molecular Formula

C₁₄H₂₁NO

SMILES

CCCCNC1CCC2=C(C1)C=CC=C2O

InChI

InChI=1S/C14H21NO/c1-2-3-9-15-12-7-8-13-11(10-12)5-4-6-14(13)16/h4-6,12,15-16H,2-3,7-10H2,1H3

InChIKey

SNPWIKMNCKTVTR-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 219.16231 Da
Monoisotopic Mass: 3.1
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]+	220.16959	150.6
[M+Na]+	242.15153	155.7
[M-H]-	218.15503	152.9
[M+NH4]+	237.19613	169.3
[M+K]+	258.12547	151.8
[M+H-H2O]+	202.15957	144.2
[M+HCOO]-	264.16051	170.2
[M+CH3COO]-	278.17616	191.1
[M+Na-2H]-	240.13698	155.9
[M]+	219.16176	147.7
[M]-	219.16286	147.7

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.