CID 204040

15620-54-9

Structural Information

Molecular Formula
C10H15N3S
SMILES
CC1CN(NC(S1)C2=CN=CC=C2)C
InChI
InChI=1S/C10H15N3S/c1-8-7-13(2)12-10(14-8)9-4-3-5-11-6-9/h3-6,8,10,12H,7H2,1-2H3
InChIKey
YKXSEPONKJVBCQ-UHFFFAOYSA-N
Compound name
4,6-dimethyl-2-pyridin-3-yl-1,3,4-thiadiazinane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

209.09866 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 210.105936 145.9
[M+Na]+ 232.087878 153.3
[M-H]- 208.091384 146.9
[M+NH4]+ 227.132483 160.7
[M+K]+ 248.061818 148.6
[M+H-H2O]+ 192.095920 137.8
[M+HCOO]- 254.096861 156.9
[M+CH3COO]- 268.112511 156.5
[M+Na-2H]- 230.073326 148.0
[M]+ 209.09811142 142.1
[M]- 209.09920858 142.1
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