CID 80121

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

Structural Information

Molecular Formula
C10H19N5
SMILES
CCCCCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C10H19N5/c1-2-3-4-5-6-7-8-13-9(11)15-10(12)14-8/h2-7H2,1H3,(H4,11,12,13,14,15)
InChIKey
JWFQDKBDSOOWTB-UHFFFAOYSA-N
Compound name
6-heptyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

49
Patents

209.16405 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.17133 150.9
[M+Na]+ 232.15327 158.3
[M-H]- 208.15677 149.5
[M+NH4]+ 227.19787 165.2
[M+K]+ 248.12721 154.6
[M+H-H2O]+ 192.16131 142.1
[M+HCOO]- 254.16225 172.0
[M+CH3COO]- 268.17790 193.4
[M+Na-2H]- 230.13872 155.9
[M]+ 209.16350 150.0
[M]- 209.16460 150.0
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.