CID 81532

2-(methylamino)naphthalene-1-sulfonic acid

Structural Information

Molecular Formula
C11H11NO3S
SMILES
CNC1=C(C2=CC=CC=C2C=C1)S(=O)(=O)O
InChI
InChI=1S/C11H11NO3S/c1-12-10-7-6-8-4-2-3-5-9(8)11(10)16(13,14)15/h2-7,12H,1H3,(H,13,14,15)
InChIKey
JIACETSUYANHGJ-UHFFFAOYSA-N
Compound name
2-(methylamino)naphthalene-1-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

237.04596 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.053236 147.1
[M+Na]+ 260.035178 156.3
[M-H]- 236.038684 150.9
[M+NH4]+ 255.079783 165.7
[M+K]+ 276.009118 152.1
[M+H-H2O]+ 220.043220 141.6
[M+HCOO]- 282.044161 164.6
[M+CH3COO]- 296.059811 188.2
[M+Na-2H]- 258.020626 154.3
[M]+ 237.04541142 149.5
[M]- 237.04650858 149.5
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