CID 49657924

1219827-77-6

Structural Information

Molecular Formula
C7H11NO4S
SMILES
C1CC1S(=O)(=O)N2CC(C2)C(=O)O
InChI
InChI=1S/C7H11NO4S/c9-7(10)5-3-8(4-5)13(11,12)6-1-2-6/h5-6H,1-4H2,(H,9,10)
InChIKey
KGCGCXUZKZKOII-UHFFFAOYSA-N
Compound name
1-cyclopropylsulfonylazetidine-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.04088 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.04816 137.8
[M+Na]+ 228.03010 144.3
[M-H]- 204.03360 142.2
[M+NH4]+ 223.07470 143.9
[M+K]+ 244.00404 144.4
[M+H-H2O]+ 188.03814 126.0
[M+HCOO]- 250.03908 150.7
[M+CH3COO]- 264.05473 185.1
[M+Na-2H]- 226.01555 139.7
[M]+ 205.04033 149.1
[M]- 205.04143 149.1
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.