CID 22209

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

Structural Information

Molecular Formula
C12H23N5
SMILES
CCCCCCCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C12H23N5/c1-2-3-4-5-6-7-8-9-10-15-11(13)17-12(14)16-10/h2-9H2,1H3,(H4,13,14,15,16,17)
InChIKey
BDPPZSFVSOBOIX-UHFFFAOYSA-N
Compound name
6-nonyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

746
Patents

237.19534 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.20262 159.5
[M+Na]+ 260.18456 166.0
[M-H]- 236.18806 157.8
[M+NH4]+ 255.22916 172.7
[M+K]+ 276.15850 161.9
[M+H-H2O]+ 220.19260 150.3
[M+HCOO]- 282.19354 180.0
[M+CH3COO]- 296.20919 199.4
[M+Na-2H]- 258.17001 163.5
[M]+ 237.19479 159.4
[M]- 237.19589 159.4
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

patents stripe