CID 2724036

50402-57-8

Structural Information

Molecular Formula
C12H14N2O3S
SMILES
C1=CC2=C(C(=C1)NCCN)C(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C12H14N2O3S/c13-7-8-14-10-5-1-3-9-4-2-6-11(12(9)10)18(15,16)17/h1-6,14H,7-8,13H2,(H,15,16,17)
InChIKey
XCNDHKWVELDQPO-UHFFFAOYSA-N
Compound name
8-(2-aminoethylamino)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

266.0725 Da
Monoisotopic Mass

-1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.07978 156.0
[M+Na]+ 289.06172 166.2
[M+NH4]+ 284.10632 163.2
[M+K]+ 305.03566 159.3
[M-H]- 265.06522 157.8
[M+Na-2H]- 287.04717 161.1
[M]+ 266.07195 158.2
[M]- 266.07305 158.2
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