CID 3018257

5-methylpyrimidine-2,4,6-triamine

Structural Information

Molecular Formula
C5H9N5
SMILES
CC1=C(N=C(N=C1N)N)N
InChI
InChI=1S/C5H9N5/c1-2-3(6)9-5(8)10-4(2)7/h1H3,(H6,6,7,8,9,10)
InChIKey
PHSWNMAZTISHEE-UHFFFAOYSA-N
Compound name
5-methylpyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

139.0858 Da
Monoisotopic Mass

-0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 140.093076 128.5
[M+Na]+ 162.075018 138.1
[M-H]- 138.078524 129.4
[M+NH4]+ 157.119623 146.6
[M+K]+ 178.048958 135.6
[M+H-H2O]+ 122.083060 121.4
[M+HCOO]- 184.084001 152.9
[M+CH3COO]- 198.099651 181.2
[M+Na-2H]- 160.060466 134.5
[M]+ 139.08525142 123.9
[M]- 139.08634858 123.9
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

patents stripe