CID 214504

Hexanoic acid, 6-(((3-nitrophenyl)sulfonyl)amino)-

Structural Information

Molecular Formula
C12H16N2O6S
SMILES
C1=CC(=CC(=C1)S(=O)(=O)NCCCCCC(=O)O)[N+](=O)[O-]
InChI
InChI=1S/C12H16N2O6S/c15-12(16)7-2-1-3-8-13-21(19,20)11-6-4-5-10(9-11)14(17)18/h4-6,9,13H,1-3,7-8H2,(H,15,16)
InChIKey
QWFGODBVEMONPJ-UHFFFAOYSA-N
Compound name
6-[(3-nitrophenyl)sulfonylamino]hexanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.0729 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.08018 164.9
[M+Na]+ 339.06212 173.0
[M+NH4]+ 334.10672 169.2
[M+K]+ 355.03606 170.8
[M-H]- 315.06562 164.7
[M+Na-2H]- 337.04757 167.6
[M]+ 316.07235 165.9
[M]- 316.07345 165.9
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.