CID 492154

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

Structural Information

Molecular Formula
C11H16N4
SMILES
CC1=C(C(=NC(=N1)N)N)C#CCC(C)C
InChI
InChI=1S/C11H16N4/c1-7(2)5-4-6-9-8(3)14-11(13)15-10(9)12/h7H,5H2,1-3H3,(H4,12,13,14,15)
InChIKey
XISOEJKRWYCAKO-UHFFFAOYSA-N
Compound name
6-methyl-5-(4-methylpent-1-ynyl)pyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 149.3
[M+Na]+ 227.12672 158.4
[M-H]- 203.13022 147.9
[M+NH4]+ 222.17132 163.1
[M+K]+ 243.10066 155.0
[M+H-H2O]+ 187.13476 135.5
[M+HCOO]- 249.13570 164.4
[M+CH3COO]- 263.15135 199.6
[M+Na-2H]- 225.11217 150.6
[M]+ 204.13695 141.5
[M]- 204.13805 141.5
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.