CID 120472

948-96-9

Structural Information

Molecular Formula

C₁₁H₁₇NO₂

SMILES

CCCCCC1=CC(=C(C=C1O)O)N

InChI

InChI=1S/C11H17NO2/c1-2-3-4-5-8-6-9(12)11(14)7-10(8)13/h6-7,13-14H,2-5,12H2,1H3

InChIKey

JCDAHDHIGIEQGG-UHFFFAOYSA-N

Compound name

4-amino-6-pentylbenzene-1,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 195.12593 Da
Monoisotopic Mass: 3.0
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]+	196.13321	143.8
[M+Na]+	218.11515	154.9
[M+NH4]+	213.15975	151.2
[M+K]+	234.08909	149.2
[M-H]-	194.11865	145.3
[M+Na-2H]-	216.10060	148.5
[M]+	195.12538	145.6
[M]-	195.12648	145.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.