CID 3022940

Ns00064698

Structural Information

Molecular Formula
C11H14O5S
SMILES
COC1=CC2=C(CCC(C2)(O)S(=O)(=O)O)C=C1
InChI
InChI=1S/C11H14O5S/c1-16-10-3-2-8-4-5-11(12,17(13,14)15)7-9(8)6-10/h2-3,6,12H,4-5,7H2,1H3,(H,13,14,15)
InChIKey
JXTBCXUUNMKWEK-UHFFFAOYSA-N
Compound name
2-hydroxy-7-methoxy-3,4-dihydro-1H-naphthalene-2-sulfonic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

258.05618 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.063456 152.5
[M+Na]+ 281.045398 160.5
[M-H]- 257.048904 154.3
[M+NH4]+ 276.090003 171.5
[M+K]+ 297.019338 157.5
[M+H-H2O]+ 241.053440 148.2
[M+HCOO]- 303.054381 165.0
[M+CH3COO]- 317.070031 185.5
[M+Na-2H]- 279.030846 159.0
[M]+ 258.05563142 154.4
[M]- 258.05672858 154.4
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.