CID 3024857

3-(3-methoxyphenyl)-3-pyrroline hydrobromide

Structural Information

Molecular Formula

C₁₁H₁₃NO

SMILES

COC1=CC=CC(=C1)C2=CCNC2

InChI

InChI=1S/C11H13NO/c1-13-11-4-2-3-9(7-11)10-5-6-12-8-10/h2-5,7,12H,6,8H2,1H3

InChIKey

SVSBWCXCRPFXRJ-UHFFFAOYSA-N

Compound name

3-(3-methoxyphenyl)-2,5-dihydro-1H-pyrrole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 175.09972 Da
Monoisotopic Mass: 1.2
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	137.1
[M+Na]+	198.088938	144.5
[M-H]-	174.092444	141.2
[M+NH4]+	193.133543	157.0
[M+K]+	214.062878	141.3
[M+H-H2O]+	158.096980	130.3
[M+HCOO]-	220.097921	159.4
[M+CH3COO]-	234.113571	176.4
[M+Na-2H]-	196.074386	142.1
[M]+	175.09917142	135.0
[M]-	175.10026858	135.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe