CID 63320881

2408971-77-5

Structural Information

Molecular Formula

C₈H₁₁N₃

SMILES

C1CC1C(C2=NC=CC=N2)N

InChI

InChI=1S/C8H11N3/c9-7(6-2-3-6)8-10-4-1-5-11-8/h1,4-7H,2-3,9H2

InChIKey

KRYJBWYSJJZBFV-UHFFFAOYSA-N

Compound name

cyclopropyl(pyrimidin-2-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 149.09529 Da
Monoisotopic Mass: -0.1
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]+	150.10257	134.6
[M+Na]+	172.08451	143.5
[M-H]-	148.08801	139.0
[M+NH4]+	167.12911	147.7
[M+K]+	188.05845	140.2
[M+H-H2O]+	132.09255	126.5
[M+HCOO]-	194.09349	157.2
[M+CH3COO]-	208.10914	180.6
[M+Na-2H]-	170.06996	141.8
[M]+	149.09474	133.9
[M]-	149.09584	133.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe