CID 84642

14779-16-9

Structural Information

Molecular Formula
C8H8N2S
SMILES
CN1C2=CC=CC=C2SC1=N
InChI
InChI=1S/C8H8N2S/c1-10-6-4-2-3-5-7(6)11-8(10)9/h2-5,9H,1H3
InChIKey
VYFQTZSQRZCAGR-UHFFFAOYSA-N
Compound name
3-methyl-1,3-benzothiazol-2-imine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

85
Patents

164.04082 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 165.048096 128.4
[M+Na]+ 187.030038 140.8
[M-H]- 163.033544 133.3
[M+NH4]+ 182.074643 151.9
[M+K]+ 203.003978 136.7
[M+H-H2O]+ 147.038080 123.1
[M+HCOO]- 209.039021 150.3
[M+CH3COO]- 223.054671 143.9
[M+Na-2H]- 185.015486 134.6
[M]+ 164.04027142 131.4
[M]- 164.04136858 131.4
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