CID 85123

Einecs 239-918-3

Structural Information

Molecular Formula
C7H11N5
SMILES
C=CCCC1=NC(=NC(=N1)N)N
InChI
InChI=1S/C7H11N5/c1-2-3-4-5-10-6(8)12-7(9)11-5/h2H,1,3-4H2,(H4,8,9,10,11,12)
InChIKey
NUIMPSFZBALNHW-UHFFFAOYSA-N
Compound name
6-but-3-enyl-1,3,5-triazine-2,4-diamine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11
Patents

165.10144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.108716 136.8
[M+Na]+ 188.090658 145.8
[M-H]- 164.094164 136.0
[M+NH4]+ 183.135263 152.7
[M+K]+ 204.064598 142.3
[M+H-H2O]+ 148.098700 128.7
[M+HCOO]- 210.099641 159.1
[M+CH3COO]- 224.115291 183.5
[M+Na-2H]- 186.076106 143.3
[M]+ 165.10089142 134.1
[M]- 165.10198858 134.1
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