CID 3008678

6,6-dimethyl-1-octoxy-1,3,5-triazine-2,4-diamine

Structural Information

Molecular Formula
C13H27N5O
SMILES
CCCCCCCCON1C(=NC(=NC1(C)C)N)N
InChI
InChI=1S/C13H27N5O/c1-4-5-6-7-8-9-10-19-18-12(15)16-11(14)17-13(18,2)3/h4-10H2,1-3H3,(H4,14,15,16,17)
InChIKey
REDFTNFFEZDOAC-UHFFFAOYSA-N
Compound name
6,6-dimethyl-1-octoxy-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

269.22156 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 270.22884 166.7
[M+Na]+ 292.21078 173.5
[M-H]- 268.21428 165.1
[M+NH4]+ 287.25538 180.8
[M+K]+ 308.18472 170.4
[M+H-H2O]+ 252.21882 158.4
[M+HCOO]- 314.21976 185.6
[M+CH3COO]- 328.23541 205.7
[M+Na-2H]- 290.19623 169.8
[M]+ 269.22101 167.7
[M]- 269.22211 167.7
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.