CID 275296

1797132-20-7

Structural Information

Molecular Formula

C₅H₈N₄

SMILES

CC1=C(C(=NC=N1)N)N

InChI

InChI=1S/C5H8N4/c1-3-4(6)5(7)9-2-8-3/h2H,6H2,1H3,(H2,7,8,9)

InChIKey

IDMLXPYSMIAAML-UHFFFAOYSA-N

Compound name

6-methylpyrimidine-4,5-diamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 28
Patents: 124.0749 Da
Monoisotopic Mass: -0.4
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]+	125.08218	123.9
[M+Na]+	147.06412	133.4
[M-H]-	123.06762	124.8
[M+NH4]+	142.10872	143.0
[M+K]+	163.03806	131.3
[M+H-H2O]+	107.07216	117.0
[M+HCOO]-	169.07310	148.0
[M+CH3COO]-	183.08875	175.3
[M+Na-2H]-	145.04957	131.4
[M]+	124.07435	120.7
[M]-	124.07545	120.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe