CID 79011296

(2r)-2-cyclopropanesulfonamido-3-methylbutanoic acid hydrochloride

Structural Information

Molecular Formula
C8H15NO4S
SMILES
CC(C)[C@H](C(=O)O)NS(=O)(=O)C1CC1
InChI
InChI=1S/C8H15NO4S/c1-5(2)7(8(10)11)9-14(12,13)6-3-4-6/h5-7,9H,3-4H2,1-2H3,(H,10,11)/t7-/m1/s1
InChIKey
JKFDDZQXZDSCRB-SSDOTTSWSA-N
Compound name
(2R)-2-(cyclopropylsulfonylamino)-3-methylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.07217 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.079446 142.1
[M+Na]+ 244.061388 148.7
[M-H]- 220.064894 144.9
[M+NH4]+ 239.105993 154.7
[M+K]+ 260.035328 145.8
[M+H-H2O]+ 204.069430 136.3
[M+HCOO]- 266.070371 156.6
[M+CH3COO]- 280.086021 189.2
[M+Na-2H]- 242.046836 143.4
[M]+ 221.07162142 146.0
[M]- 221.07271858 146.0
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.