CID 1861

90953-01-8

Structural Information

Molecular Formula

C₈H₁₀N₄

SMILES

CN(C)C1=NC=NC2=C1C=CN2

InChI

InChI=1S/C8H10N4/c1-12(2)8-6-3-4-9-7(6)10-5-11-8/h3-5H,1-2H3,(H,9,10,11)

InChIKey

WCSPMWXRKVCSRS-UHFFFAOYSA-N

Compound name

N,N-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 26
Patents: 162.09055 Da
Monoisotopic Mass: 0.9
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]+	163.09783	131.4
[M+Na]+	185.07977	144.5
[M+NH4]+	180.12437	139.7
[M+K]+	201.05371	140.4
[M-H]-	161.08327	132.7
[M+Na-2H]-	183.06522	138.7
[M]+	162.09000	133.5
[M]-	162.09110	133.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe