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
1
Annotation Hits

0
References

8
Patents

165.10144 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 166.10872 136.8
[M+Na]+ 188.09066 145.8
[M-H]- 164.09416 136.0
[M+NH4]+ 183.13526 152.7
[M+K]+ 204.06460 142.3
[M+H-H2O]+ 148.09870 128.7
[M+HCOO]- 210.09964 159.1
[M+CH3COO]- 224.11529 183.5
[M+Na-2H]- 186.07611 143.3
[M]+ 165.10089 134.1
[M]- 165.10199 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