CID 200319

1507-78-4

Structural Information

Molecular Formula

C₁₄H₂₁NO₂

SMILES

CCCC1(CCN(C1)C)C2=CC(=C(C=C2)O)O

InChI

InChI=1S/C14H21NO2/c1-3-6-14(7-8-15(2)10-14)11-4-5-12(16)13(17)9-11/h4-5,9,16-17H,3,6-8,10H2,1-2H3

InChIKey

UBGKRXUHHVICEH-UHFFFAOYSA-N

Compound name

4-(1-methyl-3-propylpyrrolidin-3-yl)benzene-1,2-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 235.15723 Da
Monoisotopic Mass: 2.9
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]+	236.164506	154.9
[M+Na]+	258.146448	162.2
[M-H]-	234.149954	157.8
[M+NH4]+	253.191053	174.2
[M+K]+	274.120388	158.3
[M+H-H2O]+	218.154490	148.9
[M+HCOO]-	280.155431	173.4
[M+CH3COO]-	294.171081	187.2
[M+Na-2H]-	256.131896	156.7
[M]+	235.15668142	153.1
[M]-	235.15777858	153.1

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.