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]+ 191.12912 145.5
[M+Na]+ 213.11106 155.0
[M-H]- 189.11456 144.2
[M+NH4]+ 208.15566 159.8
[M+K]+ 229.08500 151.8
[M+H-H2O]+ 173.11910 131.9
[M+HCOO]- 235.12004 160.9
[M+CH3COO]- 249.13569 196.9
[M+Na-2H]- 211.09651 147.2
[M]+ 190.12129 137.4
[M]- 190.12239 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.