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]+ 210.10594 145.9
[M+Na]+ 232.08788 153.3
[M-H]- 208.09138 146.9
[M+NH4]+ 227.13248 160.7
[M+K]+ 248.06182 148.6
[M+H-H2O]+ 192.09592 137.8
[M+HCOO]- 254.09686 156.9
[M+CH3COO]- 268.11251 156.5
[M+Na-2H]- 230.07333 148.0
[M]+ 209.09811 142.1
[M]- 209.09921 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