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]+ 148.042676 113.0
[M+Na]+ 170.024618 117.0
[M-H]- 146.028124 118.9
[M+NH4]+ 165.069223 123.1
[M+K]+ 185.998558 122.6
[M+H-H2O]+ 130.032660 100.2
[M+HCOO]- 192.033601 128.0
[M+CH3COO]- 206.049251 184.6
[M+Na-2H]- 168.010066 120.8
[M]+ 147.03485142 128.9
[M]- 147.03594858 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