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]+ 222.07945 142.1
[M+Na]+ 244.06139 148.7
[M-H]- 220.06489 144.9
[M+NH4]+ 239.10599 154.7
[M+K]+ 260.03533 145.8
[M+H-H2O]+ 204.06943 136.3
[M+HCOO]- 266.07037 156.6
[M+CH3COO]- 280.08602 189.2
[M+Na-2H]- 242.04684 143.4
[M]+ 221.07162 146.0
[M]- 221.07272 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.