CID 220684

8-[acetyl(methyl)amino]naphthalene-1-sulfonic acid

Structural Information

Molecular Formula
C13H13NO4S
SMILES
CC(=O)N(C)C1=CC=CC2=C1C(=CC=C2)S(=O)(=O)O
InChI
InChI=1S/C13H13NO4S/c1-9(15)14(2)11-7-3-5-10-6-4-8-12(13(10)11)19(16,17)18/h3-8H,1-2H3,(H,16,17,18)
InChIKey
ZBNKZAVVVRJOOR-UHFFFAOYSA-N
Compound name
8-[acetyl(methyl)amino]naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

279.05652 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.06380 158.1
[M+Na]+ 302.04574 166.2
[M-H]- 278.04924 163.0
[M+NH4]+ 297.09034 175.3
[M+K]+ 318.01968 163.7
[M+H-H2O]+ 262.05378 152.0
[M+HCOO]- 324.05472 174.7
[M+CH3COO]- 338.07037 199.2
[M+Na-2H]- 300.03119 162.8
[M]+ 279.05597 162.4
[M]- 279.05707 162.4
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

No patent data available for this compound.