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]+ 181.144776 142.5
[M+Na]+ 203.126718 149.8
[M-H]- 179.130224 143.2
[M+NH4]+ 198.171323 159.5
[M+K]+ 219.100658 147.5
[M+H-H2O]+ 163.134760 135.2
[M+HCOO]- 225.135701 164.3
[M+CH3COO]- 239.151351 186.6
[M+Na-2H]- 201.112166 150.3
[M]+ 180.13695142 140.7
[M]- 180.13804858 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.