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

13
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 148.4
[M+Na]+ 260.03518 160.2
[M+NH4]+ 255.07978 156.4
[M+K]+ 276.00912 153.0
[M-H]- 236.03868 150.1
[M+Na-2H]- 258.02063 154.1
[M]+ 237.04541 151.0
[M]- 237.04651 151.0
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