CID 2378281

5049-47-8

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

CC1=CC=C(N1CC2=CC=CO2)C

InChI

InChI=1S/C11H13NO/c1-9-5-6-10(2)12(9)8-11-4-3-7-13-11/h3-7H,8H2,1-2H3

InChIKey

GHUVRTIRHVRLRU-UHFFFAOYSA-N

Compound name

1-(furan-2-ylmethyl)-2,5-dimethylpyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 7
Patents: 175.09972 Da
Monoisotopic Mass: 2.2
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]+	176.106996	134.9
[M+Na]+	198.088938	145.7
[M-H]-	174.092444	142.1
[M+NH4]+	193.133543	156.6
[M+K]+	214.062878	144.3
[M+H-H2O]+	158.096980	129.0
[M+HCOO]-	220.097921	161.3
[M+CH3COO]-	234.113571	180.0
[M+Na-2H]-	196.074386	139.9
[M]+	175.09917142	139.4
[M]-	175.10026858	139.4

Literature stripe

literature stripe

Patent stripe

patents stripe