CID 18673

6-pentyl-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C8H15N5
SMILES
CCCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C8H15N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKey
PJGTYLODAXOMPC-UHFFFAOYSA-N
Compound name
6-pentyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

33
Patents

181.13275 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.140026 142.2
[M+Na]+ 204.121968 150.4
[M-H]- 180.125474 141.2
[M+NH4]+ 199.166573 157.6
[M+K]+ 220.095908 147.3
[M+H-H2O]+ 164.130010 133.8
[M+HCOO]- 226.130951 164.0
[M+CH3COO]- 240.146601 187.4
[M+Na-2H]- 202.107416 148.2
[M]+ 181.13220142 140.6
[M]- 181.13329858 140.6
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