CID 123391

Perimidine, 2-amino-1-methyl-

Structural Information

Molecular Formula

C₁₂H₁₁N₃

SMILES

CN1C2=CC=CC3=C2C(=CC=C3)N=C1N

InChI

InChI=1S/C12H11N3/c1-15-10-7-3-5-8-4-2-6-9(11(8)10)14-12(15)13/h2-7H,1H3,(H2,13,14)

InChIKey

YPQIGOYKNCVPOZ-UHFFFAOYSA-N

Compound name

1-methylperimidin-2-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 197.09529 Da
Monoisotopic Mass: 1.7
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]+	198.10257	141.4
[M+Na]+	220.08451	157.0
[M+NH4]+	215.12911	151.4
[M+K]+	236.05845	148.9
[M-H]-	196.08801	145.0
[M+Na-2H]-	218.06996	148.6
[M]+	197.09474	144.8
[M]-	197.09584	144.8

Literature stripe

literature stripe

Patent stripe

patents stripe