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]+ 206.048156 137.8
[M+Na]+ 228.030098 144.3
[M-H]- 204.033604 142.2
[M+NH4]+ 223.074703 143.9
[M+K]+ 244.004038 144.4
[M+H-H2O]+ 188.038140 126.0
[M+HCOO]- 250.039081 150.7
[M+CH3COO]- 264.054731 185.1
[M+Na-2H]- 226.015546 139.7
[M]+ 205.04033142 149.1
[M]- 205.04142858 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.