CID 213573

26741-12-8

Structural Information

Molecular Formula
C10H18N6
SMILES
CNC1=NC(=NC(=N1)N)NC2CCCCC2
InChI
InChI=1S/C10H18N6/c1-12-9-14-8(11)15-10(16-9)13-7-5-3-2-4-6-7/h7H,2-6H2,1H3,(H4,11,12,13,14,15,16)
InChIKey
WWBBSQWPBKYAIG-UHFFFAOYSA-N
Compound name
2-N-cyclohexyl-4-N-methyl-1,3,5-triazine-2,4,6-triamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

222.1593 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.16658 150.6
[M+Na]+ 245.14852 155.4
[M-H]- 221.15202 152.3
[M+NH4]+ 240.19312 163.5
[M+K]+ 261.12246 151.9
[M+H-H2O]+ 205.15656 140.6
[M+HCOO]- 267.15750 170.6
[M+CH3COO]- 281.17315 195.9
[M+Na-2H]- 243.13397 157.1
[M]+ 222.15875 143.4
[M]- 222.15985 143.4
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.