CID 122442

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

Structural Information

Molecular Formula
C13H25N5
SMILES
CCCCCCCCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C13H25N5/c1-2-3-4-5-6-7-8-9-10-11-16-12(14)18-13(15)17-11/h2-10H2,1H3,(H4,14,15,16,17,18)
InChIKey
QBNHFGGODRNZDB-UHFFFAOYSA-N
Compound name
6-decyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

251.211 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.21828 163.8
[M+Na]+ 274.20022 169.8
[M-H]- 250.20372 161.9
[M+NH4]+ 269.24482 176.4
[M+K]+ 290.17416 165.5
[M+H-H2O]+ 234.20826 154.4
[M+HCOO]- 296.20920 183.9
[M+CH3COO]- 310.22485 202.4
[M+Na-2H]- 272.18567 167.3
[M]+ 251.21045 164.0
[M]- 251.21155 164.0
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

patents stripe