CID 19773255

Structural Information

Molecular Formula
C8H16N4
SMILES
C=C=CC(CCCN=C(N)N)N
InChI
InChI=1S/C8H16N4/c1-2-4-7(9)5-3-6-12-8(10)11/h4,7H,1,3,5-6,9H2,(H4,10,11,12)
InChIKey
JCEZJHOHMHDSJO-UHFFFAOYSA-N
Compound name
None
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

168.1375 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.14478 140.9
[M+Na]+ 191.12672 144.9
[M-H]- 167.13022 140.8
[M+NH4]+ 186.17132 159.8
[M+K]+ 207.10066 143.1
[M+H-H2O]+ 151.13476 134.2
[M+HCOO]- 213.13570 166.2
[M+CH3COO]- 227.15135 191.5
[M+Na-2H]- 189.11217 142.4
[M]+ 168.13695 134.9
[M]- 168.13805 134.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe