CID 492148

6-methyl-5-(3-methylbut-1-ynyl)pyrimidine-2,4-diamine

Structural Information

Molecular Formula
C10H14N4
SMILES
CC1=C(C(=NC(=N1)N)N)C#CC(C)C
InChI
InChI=1S/C10H14N4/c1-6(2)4-5-8-7(3)13-10(12)14-9(8)11/h6H,1-3H3,(H4,11,12,13,14)
InChIKey
DEQHLEKFJDBCKS-UHFFFAOYSA-N
Compound name
6-methyl-5-(3-methylbut-1-ynyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

190.12184 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.129116 145.5
[M+Na]+ 213.111058 155.0
[M-H]- 189.114564 144.2
[M+NH4]+ 208.155663 159.8
[M+K]+ 229.084998 151.8
[M+H-H2O]+ 173.119100 131.9
[M+HCOO]- 235.120041 160.9
[M+CH3COO]- 249.135691 196.9
[M+Na-2H]- 211.096506 147.2
[M]+ 190.12129142 137.4
[M]- 190.12238858 137.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.