CID 32220

S-triazine, 4,6-diamino-2-hexoxy-

Structural Information

Molecular Formula
C9H17N5O
SMILES
CCCCCCOC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C9H17N5O/c1-2-3-4-5-6-15-9-13-7(10)12-8(11)14-9/h2-6H2,1H3,(H4,10,11,12,13,14)
InChIKey
ZKKLTSRYHIOSGF-UHFFFAOYSA-N
Compound name
6-hexoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

211.14331 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.15059 149.1
[M+Na]+ 234.13253 156.8
[M-H]- 210.13603 147.9
[M+NH4]+ 229.17713 163.2
[M+K]+ 250.10647 153.9
[M+H-H2O]+ 194.14057 140.3
[M+HCOO]- 256.14151 170.8
[M+CH3COO]- 270.15716 192.5
[M+Na-2H]- 232.11798 154.7
[M]+ 211.14276 149.3
[M]- 211.14386 149.3
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

patents stripe