CID 3006208

Cuprous 4,6,6-trimethyl-1,3-thiazine-2-thiol

Structural Information

Molecular Formula
C7H11NS2
SMILES
CC1=CC(SC(=S)N1)(C)C
InChI
InChI=1S/C7H11NS2/c1-5-4-7(2,3)10-6(9)8-5/h4H,1-3H3,(H,8,9)
InChIKey
DLBJODXBDQMKRQ-UHFFFAOYSA-N
Compound name
4,6,6-trimethyl-3H-1,3-thiazine-2-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

173.0333 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.04058 129.7
[M+Na]+ 196.02252 138.5
[M-H]- 172.02602 130.7
[M+NH4]+ 191.06712 151.0
[M+K]+ 211.99646 133.9
[M+H-H2O]+ 156.03056 125.5
[M+HCOO]- 218.03150 138.3
[M+CH3COO]- 232.04715 175.8
[M+Na-2H]- 194.00797 131.1
[M]+ 173.03275 128.2
[M]- 173.03385 128.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe