CID 66798

Benzenesulfonic acid, 3-(diethylamino)-

Structural Information

Molecular Formula
C10H15NO3S
SMILES
CCN(CC)C1=CC(=CC=C1)S(=O)(=O)O
InChI
InChI=1S/C10H15NO3S/c1-3-11(4-2)9-6-5-7-10(8-9)15(12,13)14/h5-8H,3-4H2,1-2H3,(H,12,13,14)
InChIKey
TYXZQVMCGZKDEK-UHFFFAOYSA-N
Compound name
3-(diethylamino)benzenesulfonic acid
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

0
References

163
Patents

229.07727 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.084546 148.3
[M+Na]+ 252.066488 155.7
[M-H]- 228.069994 152.2
[M+NH4]+ 247.111093 166.6
[M+K]+ 268.040428 153.5
[M+H-H2O]+ 212.074530 142.2
[M+HCOO]- 274.075471 166.6
[M+CH3COO]- 288.091121 189.8
[M+Na-2H]- 250.051936 152.1
[M]+ 229.07672142 152.0
[M]- 229.07781858 152.0
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