CID 211106

22279-14-7

Structural Information

Molecular Formula
C11H15N3S
SMILES
CC1(CN(N=C(S1)C2=CC=NC=C2)C)C
InChI
InChI=1S/C11H15N3S/c1-11(2)8-14(3)13-10(15-11)9-4-6-12-7-5-9/h4-7H,8H2,1-3H3
InChIKey
JPZCRMVZNMPTEI-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-2-pyridin-4-yl-5H-1,3,4-thiadiazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

221.09866 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 222.10594 148.7
[M+Na]+ 244.08788 163.1
[M+NH4]+ 239.13248 159.0
[M+K]+ 260.06182 151.9
[M-H]- 220.09138 152.2
[M+Na-2H]- 242.07333 158.3
[M]+ 221.09811 152.5
[M]- 221.09921 152.5
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.