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
2
Annotation Hits

0
References

51
Patents

146.05139 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 147.05867 127.9
[M+Na]+ 169.04061 136.4
[M-H]- 145.04411 129.6
[M+NH4]+ 164.08521 146.3
[M+K]+ 185.01455 135.9
[M+H-H2O]+ 129.04865 121.7
[M+HCOO]- 191.04959 141.2
[M+CH3COO]- 205.06524 172.9
[M+Na-2H]- 167.02606 131.0
[M]+ 146.05084 127.2
[M]- 146.05194 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