CID 88172

6-(octyloxy)-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C11H21N5O
SMILES
CCCCCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C11H21N5O/c1-2-3-4-5-6-7-8-17-11-15-9(12)14-10(13)16-11/h2-8H2,1H3,(H4,12,13,14,15,16)
InChIKey
IRHDBABFPRZYDY-UHFFFAOYSA-N
Compound name
6-octoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

239.1746 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.18188 157.8
[M+Na]+ 262.16382 164.5
[M-H]- 238.16732 156.2
[M+NH4]+ 257.20842 170.7
[M+K]+ 278.13776 161.2
[M+H-H2O]+ 222.17186 148.5
[M+HCOO]- 284.17280 178.7
[M+CH3COO]- 298.18845 198.5
[M+Na-2H]- 260.14927 162.3
[M]+ 239.17405 158.6
[M]- 239.17515 158.6
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.