CID 28773416

2-(tert-butylsulfamoyl)acetic acid

Structural Information

Molecular Formula
C6H13NO4S
SMILES
CC(C)(C)NS(=O)(=O)CC(=O)O
InChI
InChI=1S/C6H13NO4S/c1-6(2,3)7-12(10,11)4-5(8)9/h7H,4H2,1-3H3,(H,8,9)
InChIKey
HGLIKBNCPVOVKP-UHFFFAOYSA-N
Compound name
2-(tert-butylsulfamoyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

195.05653 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 140.0
[M+Na]+ 218.04575 146.7
[M-H]- 194.04925 139.2
[M+NH4]+ 213.09035 158.7
[M+K]+ 234.01969 145.5
[M+H-H2O]+ 178.05379 135.6
[M+HCOO]- 240.05473 155.1
[M+CH3COO]- 254.07038 179.5
[M+Na-2H]- 216.03120 144.2
[M]+ 195.05598 142.4
[M]- 195.05708 142.4
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

patents stripe