CID 56994493

7-sulfamoylheptanoic acid

Structural Information

Molecular Formula
C7H15NO4S
SMILES
C(CCCS(=O)(=O)N)CCC(=O)O
InChI
InChI=1S/C7H15NO4S/c8-13(11,12)6-4-2-1-3-5-7(9)10/h1-6H2,(H,9,10)(H2,8,11,12)
InChIKey
QZTOPAGRUAPHBS-UHFFFAOYSA-N
Compound name
7-sulfamoylheptanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

209.07217 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.079446 144.6
[M+Na]+ 232.061388 150.5
[M-H]- 208.064894 142.7
[M+NH4]+ 227.105993 162.3
[M+K]+ 248.035328 148.2
[M+H-H2O]+ 192.069430 139.3
[M+HCOO]- 254.070371 160.3
[M+CH3COO]- 268.086021 182.2
[M+Na-2H]- 230.046836 146.3
[M]+ 209.07162142 146.9
[M]- 209.07271858 146.9
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

patents stripe