CID 146011

1-amino-2-naphthyl sulfate

Structural Information

Molecular Formula
C10H9NO4S
SMILES
C1=CC=C2C(=C1)C=CC(=C2N)OS(=O)(=O)O
InChI
InChI=1S/C10H9NO4S/c11-10-8-4-2-1-3-7(8)5-6-9(10)15-16(12,13)14/h1-6H,11H2,(H,12,13,14)
InChIKey
KFZAUEBTXMCCKD-UHFFFAOYSA-N
Compound name
(1-aminonaphthalen-2-yl) hydrogen sulfate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

239.02522 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 240.03250 146.3
[M+Na]+ 262.01444 155.7
[M-H]- 238.01794 149.7
[M+NH4]+ 257.05904 164.4
[M+K]+ 277.98838 152.0
[M+H-H2O]+ 222.02248 140.8
[M+HCOO]- 284.02342 163.7
[M+CH3COO]- 298.03907 186.9
[M+Na-2H]- 259.99989 153.2
[M]+ 239.02467 148.7
[M]- 239.02577 148.7
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