CID 77706

5-butylpyrimidine-2,4,6-triamine

Structural Information

Molecular Formula
C8H15N5
SMILES
CCCCC1=C(N=C(N=C1N)N)N
InChI
InChI=1S/C8H15N5/c1-2-3-4-5-6(9)12-8(11)13-7(5)10/h2-4H2,1H3,(H6,9,10,11,12,13)
InChIKey
WEKKOIATWTXXBP-UHFFFAOYSA-N
Compound name
5-butylpyrimidine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

181.13275 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.140026 141.6
[M+Na]+ 204.121968 150.0
[M-H]- 180.125474 142.0
[M+NH4]+ 199.166573 158.1
[M+K]+ 220.095908 146.7
[M+H-H2O]+ 164.130010 134.0
[M+HCOO]- 226.130951 165.1
[M+CH3COO]- 240.146601 190.4
[M+Na-2H]- 202.107416 146.1
[M]+ 181.13220142 138.2
[M]- 181.13329858 138.2
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