CID 10921435

(2s)-2-methanesulfonamido-3-methylbutanoic acid

Structural Information

Molecular Formula
C6H13NO4S
SMILES
CC(C)[C@@H](C(=O)O)NS(=O)(=O)C
InChI
InChI=1S/C6H13NO4S/c1-4(2)5(6(8)9)7-12(3,10)11/h4-5,7H,1-3H3,(H,8,9)/t5-/m0/s1
InChIKey
AKFZJYZYVABSGC-YFKPBYRVSA-N
Compound name
(2S)-2-(methanesulfonamido)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

63
Patents

195.05653 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.06381 139.6
[M+Na]+ 218.04575 145.3
[M-H]- 194.04925 138.5
[M+NH4]+ 213.09035 157.9
[M+K]+ 234.01969 144.7
[M+H-H2O]+ 178.05379 134.6
[M+HCOO]- 240.05473 154.1
[M+CH3COO]- 254.07038 181.6
[M+Na-2H]- 216.03120 140.5
[M]+ 195.05598 141.3
[M]- 195.05708 141.3
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