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]+ 210.07945 144.6
[M+Na]+ 232.06139 150.5
[M-H]- 208.06489 142.7
[M+NH4]+ 227.10599 162.3
[M+K]+ 248.03533 148.2
[M+H-H2O]+ 192.06943 139.3
[M+HCOO]- 254.07037 160.3
[M+CH3COO]- 268.08602 182.2
[M+Na-2H]- 230.04684 146.3
[M]+ 209.07162 146.9
[M]- 209.07272 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