CID 2776207

69807-81-4

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CN1C=CC=C1CN

InChI

InChI=1S/C6H10N2/c1-8-4-2-3-6(8)5-7/h2-4H,5,7H2,1H3

InChIKey

GGCBARJYVAPZJQ-UHFFFAOYSA-N

Compound name

(1-methylpyrrol-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 240
Patents: 110.0844 Da
Monoisotopic Mass: -0.4
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]+	111.09168	120.8
[M+Na]+	133.07362	131.9
[M+NH4]+	128.11822	129.7
[M+K]+	149.04756	127.9
[M-H]-	109.07712	122.7
[M+Na-2H]-	131.05907	127.0
[M]+	110.08385	122.7
[M]-	110.08495	122.7

Literature stripe

literature stripe

Patent stripe

patents stripe