CID 1792

Dansyl acid

Structural Information

Molecular Formula
C12H13NO3S
SMILES
CN(C)C1=CC=CC2=C1C=CC=C2S(=O)(=O)O
InChI
InChI=1S/C12H13NO3S/c1-13(2)11-7-3-6-10-9(11)5-4-8-12(10)17(14,15)16/h3-8H,1-2H3,(H,14,15,16)
InChIKey
BBEQQKBWUHCIOU-UHFFFAOYSA-N
Compound name
5-(dimethylamino)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

24
References

3764
Patents

251.06161 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.06889 152.6
[M+Na]+ 274.05083 164.7
[M+NH4]+ 269.09543 160.8
[M+K]+ 290.02477 157.5
[M-H]- 250.05433 154.7
[M+Na-2H]- 272.03628 158.7
[M]+ 251.06106 155.4
[M]- 251.06216 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