CID 78929928

N4-(2,2-dimethylpropyl)pyrimidine-4,6-diamine

Structural Information

Molecular Formula
C9H16N4
SMILES
CC(C)(C)CNC1=NC=NC(=C1)N
InChI
InChI=1S/C9H16N4/c1-9(2,3)5-11-8-4-7(10)12-6-13-8/h4,6H,5H2,1-3H3,(H3,10,11,12,13)
InChIKey
OBUZXKZXURFIJE-UHFFFAOYSA-N
Compound name
4-N-(2,2-dimethylpropyl)pyrimidine-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

180.1375 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 142.5
[M+Na]+ 203.12672 149.8
[M-H]- 179.13022 143.2
[M+NH4]+ 198.17132 159.5
[M+K]+ 219.10066 147.5
[M+H-H2O]+ 163.13476 135.2
[M+HCOO]- 225.13570 164.3
[M+CH3COO]- 239.15135 186.6
[M+Na-2H]- 201.11217 150.3
[M]+ 180.13695 140.7
[M]- 180.13805 140.7
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.