CID 12250862

4,5,6-trimethylpyrimidin-2-amine

Structural Information

Molecular Formula
C7H11N3
SMILES
CC1=C(N=C(N=C1C)N)C
InChI
InChI=1S/C7H11N3/c1-4-5(2)9-7(8)10-6(4)3/h1-3H3,(H2,8,9,10)
InChIKey
PGKDWIZGAJVLNB-UHFFFAOYSA-N
Compound name
4,5,6-trimethylpyrimidin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

137.09529 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 138.10257 128.4
[M+Na]+ 160.08451 138.9
[M-H]- 136.08801 130.0
[M+NH4]+ 155.12911 148.0
[M+K]+ 176.05845 136.7
[M+H-H2O]+ 120.09255 121.9
[M+HCOO]- 182.09349 151.5
[M+CH3COO]- 196.10914 178.2
[M+Na-2H]- 158.06996 134.9
[M]+ 137.09474 128.1
[M]- 137.09584 128.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe