CID 207482

Brn 0532104

Structural Information

Molecular Formula
C12H21N5
SMILES
CC(C)C1=NC(=NC(=N1)NC2CCCCC2)N
InChI
InChI=1S/C12H21N5/c1-8(2)10-15-11(13)17-12(16-10)14-9-6-4-3-5-7-9/h8-9H,3-7H2,1-2H3,(H3,13,14,15,16,17)
InChIKey
LVFZUQXOXDPVOF-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-6-propan-2-yl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.1797 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.18698 157.5
[M+Na]+ 258.16892 161.9
[M-H]- 234.17242 158.9
[M+NH4]+ 253.21352 170.1
[M+K]+ 274.14286 158.5
[M+H-H2O]+ 218.17696 147.6
[M+HCOO]- 280.17790 174.7
[M+CH3COO]- 294.19355 197.6
[M+Na-2H]- 256.15437 161.0
[M]+ 235.17915 151.0
[M]- 235.18025 151.0
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.