CID 20888475

1-(1-benzyl-1h-pyrrol-2-yl)methanamine hydrochloride

Structural Information

Molecular Formula

C₁₂H₁₄N₂

SMILES

C1=CC=C(C=C1)CN2C=CC=C2CN

InChI

InChI=1S/C12H14N2/c13-9-12-7-4-8-14(12)10-11-5-2-1-3-6-11/h1-8H,9-10,13H2

InChIKey

JAPGDYZHTAFVMD-UHFFFAOYSA-N

Compound name

(1-benzylpyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 186.11569 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]+	187.12297	141.8
[M+Na]+	209.10491	154.7
[M+NH4]+	204.14951	151.0
[M+K]+	225.07885	148.8
[M-H]-	185.10841	146.3
[M+Na-2H]-	207.09036	150.7
[M]+	186.11514	144.8
[M]-	186.11624	144.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe