CID 63820624

933722-68-0

Structural Information

Molecular Formula

C₇H₈N₄

SMILES

C1=C2N=CC(=CN2N=C1)CN

InChI

InChI=1S/C7H8N4/c8-3-6-4-9-7-1-2-10-11(7)5-6/h1-2,4-5H,3,8H2

InChIKey

ZKSDCLIYOIEAQE-UHFFFAOYSA-N

Compound name

pyrazolo[1,5-a]pyrimidin-6-ylmethanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 148.07489 Da
Monoisotopic Mass: -0.8
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]+	149.08217	126.8
[M+Na]+	171.06411	137.8
[M-H]-	147.06761	127.7
[M+NH4]+	166.10871	146.8
[M+K]+	187.03805	134.7
[M+H-H2O]+	131.07215	119.1
[M+HCOO]-	193.07309	150.7
[M+CH3COO]-	207.08874	141.0
[M+Na-2H]-	169.04956	136.5
[M]+	148.07434	127.3
[M]-	148.07544	127.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe