CID 85123

15821-36-0

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 134.8
[M+Na]+ 188.09066 146.0
[M+NH4]+ 183.13526 141.1
[M+K]+ 204.06460 140.8
[M-H]- 164.09416 135.5
[M+Na-2H]- 186.07611 140.5
[M]+ 165.10089 136.2
[M]- 165.10199 136.2
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