CID 55254375

20863-72-3

Structural Information

Molecular Formula

C₆H₁₀N₂

SMILES

CN1C=CC(=C1)CN

InChI

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

InChIKey

ZAOLDHBNVDOBDU-UHFFFAOYSA-N

Compound name

(1-methylpyrrol-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 11
Patents: 110.0844 Da
Monoisotopic Mass: -0.5
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]+	111.091676	120.5
[M+Na]+	133.073618	129.2
[M-H]-	109.077124	122.8
[M+NH4]+	128.118223	143.6
[M+K]+	149.047558	127.9
[M+H-H2O]+	93.081660	114.6
[M+HCOO]-	155.082601	145.9
[M+CH3COO]-	169.098251	170.2
[M+Na-2H]-	131.059066	126.6
[M]+	110.08385142	119.2
[M]-	110.08494858	119.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe