CID 5746216

Brn 0783760

Structural Information

Molecular Formula

C₁₀H₁₂N₄

SMILES

CC1=NC2=C(C=CN2)C(=N1)NCC=C

InChI

InChI=1S/C10H12N4/c1-3-5-11-9-8-4-6-12-10(8)14-7(2)13-9/h3-4,6H,1,5H2,2H3,(H2,11,12,13,14)

InChIKey

DGRKRLXGRRCQDF-UHFFFAOYSA-N

Compound name

2-methyl-N-prop-2-enyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 188.1062 Da
Monoisotopic Mass: 2.0
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]+	189.113476	140.4
[M+Na]+	211.095418	150.8
[M-H]-	187.098924	140.4
[M+NH4]+	206.140023	158.5
[M+K]+	227.069358	145.8
[M+H-H2O]+	171.103460	132.6
[M+HCOO]-	233.104401	162.6
[M+CH3COO]-	247.120051	153.2
[M+Na-2H]-	209.080866	148.2
[M]+	188.10565142	140.8
[M]-	188.10674858	140.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.