CID 4474224

5-(dimethylamino)-2-naphthalenesulfonic acid

Structural Information

Molecular Formula
C12H13NO3S
SMILES
CN(C)C1=CC=CC2=C1C=CC(=C2)S(=O)(=O)O
InChI
InChI=1S/C12H13NO3S/c1-13(2)12-5-3-4-9-8-10(17(14,15)16)6-7-11(9)12/h3-8H,1-2H3,(H,14,15,16)
InChIKey
VENHBDIMAAXWKI-UHFFFAOYSA-N
Compound name
5-(dimethylamino)naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

251.06161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.068886 151.4
[M+Na]+ 274.050828 160.3
[M-H]- 250.054334 156.5
[M+NH4]+ 269.095433 170.1
[M+K]+ 290.024768 157.4
[M+H-H2O]+ 234.058870 145.6
[M+HCOO]- 296.059811 169.0
[M+CH3COO]- 310.075461 194.6
[M+Na-2H]- 272.036276 157.5
[M]+ 251.06106142 155.4
[M]- 251.06215858 155.4
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