CID 78261

1,2,4,5-benzenetetramine

Structural Information

Molecular Formula
C6H10N4
SMILES
C1=C(C(=CC(=C1N)N)N)N
InChI
InChI=1S/C6H10N4/c7-3-1-4(8)6(10)2-5(3)9/h1-2H,7-10H2
InChIKey
ANUAIBBBDSEVKN-UHFFFAOYSA-N
Compound name
benzene-1,2,4,5-tetramine
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

36
References

3254
Patents

138.09055 Da
Monoisotopic Mass

-0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.09783 126.6
[M+Na]+ 161.07977 134.8
[M-H]- 137.08327 129.5
[M+NH4]+ 156.12437 146.6
[M+K]+ 177.05371 132.2
[M+H-H2O]+ 121.08781 120.6
[M+HCOO]- 183.08875 153.5
[M+CH3COO]- 197.10440 183.6
[M+Na-2H]- 159.06522 131.0
[M]+ 138.09000 119.6
[M]- 138.09110 119.6
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