CID 26722488

915919-59-4

Structural Information

Molecular Formula

C₈H₁₂N₂

SMILES

CC1=C(C=CN=C1)CNC

InChI

InChI=1S/C8H12N2/c1-7-5-10-4-3-8(7)6-9-2/h3-5,9H,6H2,1-2H3

InChIKey

RJVPFVJLMPYTBC-UHFFFAOYSA-N

Compound name

N-methyl-1-(3-methylpyridin-4-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 16
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]+	137.10733	127.5
[M+Na]+	159.08927	135.5
[M-H]-	135.09277	130.0
[M+NH4]+	154.13387	148.0
[M+K]+	175.06321	133.7
[M+H-H2O]+	119.09731	121.1
[M+HCOO]-	181.09825	152.2
[M+CH3COO]-	195.11390	176.9
[M+Na-2H]-	157.07472	136.0
[M]+	136.09950	127.2
[M]-	136.10060	127.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe