CID 492151

2,4-pyrimidinediamine, 5-(3,3-dimethyl-1-butynyl)-6-methyl-

Structural Information

Molecular Formula
C11H16N4
SMILES
CC1=C(C(=NC(=N1)N)N)C#CC(C)(C)C
InChI
InChI=1S/C11H16N4/c1-7-8(5-6-11(2,3)4)9(12)15-10(13)14-7/h1-4H3,(H4,12,13,14,15)
InChIKey
KAEVULRCEXMPLZ-UHFFFAOYSA-N
Compound name
5-(3,3-dimethylbut-1-ynyl)-6-methylpyrimidine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

204.1375 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 205.14478 152.3
[M+Na]+ 227.12672 161.9
[M-H]- 203.13022 151.1
[M+NH4]+ 222.17132 166.2
[M+K]+ 243.10066 158.6
[M+H-H2O]+ 187.13476 139.0
[M+HCOO]- 249.13570 166.8
[M+CH3COO]- 263.15135 199.1
[M+Na-2H]- 225.11217 155.0
[M]+ 204.13695 144.5
[M]- 204.13805 144.5
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.