CID 35117

30360-70-4

Structural Information

Molecular Formula
C8H15N5O
SMILES
CCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C8H15N5O/c1-2-3-4-5-14-8-12-6(9)11-7(10)13-8/h2-5H2,1H3,(H4,9,10,11,12,13)
InChIKey
OGYDZAGBMZQEBM-UHFFFAOYSA-N
Compound name
6-pentoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

197.12766 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.13494 144.8
[M+Na]+ 220.11688 152.9
[M-H]- 196.12038 143.7
[M+NH4]+ 215.16148 159.4
[M+K]+ 236.09082 150.2
[M+H-H2O]+ 180.12492 136.1
[M+HCOO]- 242.12586 166.7
[M+CH3COO]- 256.14151 189.5
[M+Na-2H]- 218.10233 150.8
[M]+ 197.12711 144.6
[M]- 197.12821 144.6
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

No patent data available for this compound.