CID 117793048

1643147-59-4

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1C2(CO1)CS(=N)(=O)C2
InChI
InChI=1S/C5H9NO2S/c6-9(7)3-5(4-9)1-8-2-5/h6H,1-4H2
InChIKey
WERKUZNUAOJADK-UHFFFAOYSA-N
Compound name
2-imino-6-oxa-2lambda6-thiaspiro[3.3]heptane 2-oxide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

147.0354 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.04268 113.0
[M+Na]+ 170.02462 117.0
[M-H]- 146.02812 118.9
[M+NH4]+ 165.06922 123.1
[M+K]+ 185.99856 122.6
[M+H-H2O]+ 130.03266 100.2
[M+HCOO]- 192.03360 128.0
[M+CH3COO]- 206.04925 184.6
[M+Na-2H]- 168.01007 120.8
[M]+ 147.03485 128.9
[M]- 147.03595 128.9
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