CID 4712458

71271-61-9

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC(CC1=CN=CC=C1)N

InChI

InChI=1S/C8H12N2/c1-7(9)5-8-3-2-4-10-6-8/h2-4,6-7H,5,9H2,1H3

InChIKey

PUEWSNLDTZQXLN-UHFFFAOYSA-N

Compound name

1-pyridin-3-ylpropan-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 78
Patents: 136.10005 Da
Monoisotopic Mass: 0.6
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]+	137.107326	128.7
[M+Na]+	159.089268	135.5
[M-H]-	135.092774	130.4
[M+NH4]+	154.133873	148.6
[M+K]+	175.063208	133.8
[M+H-H2O]+	119.097310	122.2
[M+HCOO]-	181.098251	151.8
[M+CH3COO]-	195.113901	175.9
[M+Na-2H]-	157.074716	135.6
[M]+	136.09950142	126.4
[M]-	136.10059858	126.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe