CID 18602

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

Structural Information

Molecular Formula
C7H13N5
SMILES
CCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H13N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2-4H2,1H3,(H4,8,9,10,11,12)
InChIKey
FMKJZXVUCJWIIV-UHFFFAOYSA-N
Compound name
6-butyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

633
Patents

167.1171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 168.12438 137.8
[M+Na]+ 190.10632 146.5
[M-H]- 166.10982 137.0
[M+NH4]+ 185.15092 153.8
[M+K]+ 206.08026 143.6
[M+H-H2O]+ 150.11436 129.6
[M+HCOO]- 212.11530 159.9
[M+CH3COO]- 226.13095 184.3
[M+Na-2H]- 188.09177 144.4
[M]+ 167.11655 135.9
[M]- 167.11765 135.9
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