CID 68797

Omonasteine

Structural Information

Molecular Formula
C5H9NO2S
SMILES
C1CSCNC1C(=O)O
InChI
InChI=1S/C5H9NO2S/c7-5(8)4-1-2-9-3-6-4/h4,6H,1-3H2,(H,7,8)
InChIKey
JZKHUBWXBZINMO-UHFFFAOYSA-N
Compound name
1,3-thiazinane-4-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

124
Patents

147.0354 Da
Monoisotopic Mass

-2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.042676 128.8
[M+Na]+ 170.024618 134.0
[M-H]- 146.028124 127.7
[M+NH4]+ 165.069223 147.4
[M+K]+ 185.998558 131.7
[M+H-H2O]+ 130.032660 123.4
[M+HCOO]- 192.033601 140.3
[M+CH3COO]- 206.049251 165.6
[M+Na-2H]- 168.010066 130.7
[M]+ 147.03485142 123.5
[M]- 147.03594858 123.5
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.