CID 67088046

1430746-12-5

Structural Information

Molecular Formula
C3H6O3S
SMILES
C1C(CO1)S(=O)O
InChI
InChI=1S/C3H6O3S/c4-7(5)3-1-6-2-3/h3H,1-2H2,(H,4,5)
InChIKey
CMPULIZRRXCMLD-UHFFFAOYSA-N
Compound name
oxetane-3-sulfinic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

28
Patents

122.00377 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 123.01105 113.0
[M+Na]+ 144.99299 118.3
[M-H]- 120.99649 116.0
[M+NH4]+ 140.03759 126.9
[M+K]+ 160.96693 122.3
[M+H-H2O]+ 105.00103 102.7
[M+HCOO]- 167.00197 128.2
[M+CH3COO]- 181.01762 167.2
[M+Na-2H]- 142.97844 117.4
[M]+ 122.00322 122.4
[M]- 122.00432 122.4
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

patents stripe