CID 93094

4h-1,3,5-oxadiazine-4-thione, tetrahydro-3,5-dimethyl-

Structural Information

Molecular Formula
C5H10N2OS
SMILES
CN1COCN(C1=S)C
InChI
InChI=1S/C5H10N2OS/c1-6-3-8-4-7(2)5(6)9/h3-4H2,1-2H3
InChIKey
SDWKXMBJXPQCJU-UHFFFAOYSA-N
Compound name
3,5-dimethyl-1,3,5-oxadiazinane-4-thione
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

92
Patents

146.05139 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.058666 127.9
[M+Na]+ 169.040608 136.4
[M-H]- 145.044114 129.6
[M+NH4]+ 164.085213 146.3
[M+K]+ 185.014548 135.9
[M+H-H2O]+ 129.048650 121.7
[M+HCOO]- 191.049591 141.2
[M+CH3COO]- 205.065241 172.9
[M+Na-2H]- 167.026056 131.0
[M]+ 146.05084142 127.2
[M]- 146.05193858 127.2
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