CID 165589450

2727120-29-6

Structural Information

Molecular Formula
C6H11NO2S
SMILES
CSC1(CC(C1)N)C(=O)O
InChI
InChI=1S/C6H11NO2S/c1-10-6(5(8)9)2-4(7)3-6/h4H,2-3,7H2,1H3,(H,8,9)
InChIKey
NXPHOHRQBXUGSK-UHFFFAOYSA-N
Compound name
3-amino-1-methylsulfanylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

161.05106 Da
Monoisotopic Mass

-2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 162.05834 132.8
[M+Na]+ 184.04028 137.3
[M-H]- 160.04378 134.3
[M+NH4]+ 179.08488 147.7
[M+K]+ 200.01422 138.7
[M+H-H2O]+ 144.04832 122.8
[M+HCOO]- 206.04926 147.3
[M+CH3COO]- 220.06491 178.7
[M+Na-2H]- 182.02573 134.1
[M]+ 161.05051 140.1
[M]- 161.05161 140.1
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.