CID 20035997

2-methyl-4-(pyrrolidin-1-yl)phenol hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₅NO

SMILES

CC1=C(C=CC(=C1)N2CCCC2)O

InChI

InChI=1S/C11H15NO/c1-9-8-10(4-5-11(9)13)12-6-2-3-7-12/h4-5,8,13H,2-3,6-7H2,1H3

InChIKey

LUKQPGYGARKPLW-UHFFFAOYSA-N

Compound name

2-methyl-4-pyrrolidin-1-ylphenol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
Patents: 177.11537 Da
Monoisotopic Mass: 1.9
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]+	178.12265	138.7
[M+Na]+	200.10459	146.0
[M-H]-	176.10809	142.8
[M+NH4]+	195.14919	158.8
[M+K]+	216.07853	143.0
[M+H-H2O]+	160.11263	132.1
[M+HCOO]-	222.11357	159.5
[M+CH3COO]-	236.12922	177.9
[M+Na-2H]-	198.09004	142.0
[M]+	177.11482	135.6
[M]-	177.11592	135.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe