CID 90636

5-ethylpyrimidine-2,4,6-triamine

Structural Information

Molecular Formula
C6H11N5
SMILES
CCC1=C(N=C(N=C1N)N)N
InChI
InChI=1S/C6H11N5/c1-2-3-4(7)10-6(9)11-5(3)8/h2H2,1H3,(H6,7,8,9,10,11)
InChIKey
JMJXZCVZSCWVDV-UHFFFAOYSA-N
Compound name
5-ethylpyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

153.10144 Da
Monoisotopic Mass

0.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.108716 132.9
[M+Na]+ 176.090658 142.1
[M-H]- 152.094164 133.6
[M+NH4]+ 171.135263 150.4
[M+K]+ 192.064598 139.3
[M+H-H2O]+ 136.098700 125.6
[M+HCOO]- 198.099641 157.0
[M+CH3COO]- 212.115291 184.3
[M+Na-2H]- 174.076106 138.4
[M]+ 153.10089142 128.7
[M]- 153.10198858 128.7
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