CID 11309982

1,4,5,8-naphthalenetetramine

Structural Information

Molecular Formula
C10H12N4
SMILES
C1=CC(=C2C(=CC=C(C2=C1N)N)N)N
InChI
InChI=1S/C10H12N4/c11-5-1-2-6(12)10-8(14)4-3-7(13)9(5)10/h1-4H,11-14H2
InChIKey
LJYJFKXQKHSSEB-UHFFFAOYSA-N
Compound name
naphthalene-1,4,5,8-tetramine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

243
Patents

188.1062 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 189.113476 138.3
[M+Na]+ 211.095418 147.4
[M-H]- 187.098924 142.2
[M+NH4]+ 206.140023 157.7
[M+K]+ 227.069358 143.2
[M+H-H2O]+ 171.103460 132.1
[M+HCOO]- 233.104401 163.9
[M+CH3COO]- 247.120051 194.6
[M+Na-2H]- 209.080866 143.7
[M]+ 188.10565142 132.4
[M]- 188.10674858 132.4
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