CID 66552

1-naphthalenemethanesulfonic acid, 2-amino-

Structural Information

Molecular Formula
C11H11NO3S
SMILES
C1=CC=C2C(=C1)C=CC(=C2CS(=O)(=O)O)N
InChI
InChI=1S/C11H11NO3S/c12-11-6-5-8-3-1-2-4-9(8)10(11)7-16(13,14)15/h1-6H,7,12H2,(H,13,14,15)
InChIKey
HAODCXVRFDVUMY-UHFFFAOYSA-N
Compound name
(2-aminonaphthalen-1-yl)methanesulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

237.04596 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.05324 147.7
[M+Na]+ 260.03518 156.9
[M-H]- 236.03868 150.9
[M+NH4]+ 255.07978 166.0
[M+K]+ 276.00912 152.3
[M+H-H2O]+ 220.04322 142.2
[M+HCOO]- 282.04416 164.5
[M+CH3COO]- 296.05981 187.7
[M+Na-2H]- 258.02063 153.8
[M]+ 237.04541 149.0
[M]- 237.04651 149.0
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