CID 3068012

Brn 5510142

Structural Information

Molecular Formula
C6H7N3S
SMILES
CC1=CC2=C(NCS2)N=N1
InChI
InChI=1S/C6H7N3S/c1-4-2-5-6(9-8-4)7-3-10-5/h2H,3H2,1H3,(H,7,9)
InChIKey
LAOSUHUYFREMGV-UHFFFAOYSA-N
Compound name
3-methyl-6,7-dihydro-[1,3]thiazolo[4,5-c]pyridazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

153.03607 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 154.043346 127.9
[M+Na]+ 176.025288 138.5
[M-H]- 152.028794 127.7
[M+NH4]+ 171.069893 148.3
[M+K]+ 191.999228 135.2
[M+H-H2O]+ 136.033330 121.6
[M+HCOO]- 198.034271 142.5
[M+CH3COO]- 212.049921 141.1
[M+Na-2H]- 174.010736 132.6
[M]+ 153.03552142 127.6
[M]- 153.03661858 127.6
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.