CID 89613

1,3,5-triazine-2,4-diamine, 6-(4-pentenyl)-

Structural Information

Molecular Formula
C8H13N5
SMILES
C=CCCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C8H13N5/c1-2-3-4-5-6-11-7(9)13-8(10)12-6/h2H,1,3-5H2,(H4,9,10,11,12,13)
InChIKey
DNROWNDXCCMFHU-UHFFFAOYSA-N
Compound name
6-pent-4-enyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

4
Patents

179.1171 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 180.124376 141.2
[M+Na]+ 202.106318 149.7
[M-H]- 178.109824 140.2
[M+NH4]+ 197.150923 156.6
[M+K]+ 218.080258 146.0
[M+H-H2O]+ 162.114360 132.9
[M+HCOO]- 224.115301 163.1
[M+CH3COO]- 238.130951 186.5
[M+Na-2H]- 200.091766 147.2
[M]+ 179.11655142 138.9
[M]- 179.11764858 138.9
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