CID 2727491

Maybridge4_003231

Structural Information

Molecular Formula
C10H10N2OS
SMILES
CC1=NNC(=O)C(=C1)CC2=CC=CS2
InChI
InChI=1S/C10H10N2OS/c1-7-5-8(10(13)12-11-7)6-9-3-2-4-14-9/h2-5H,6H2,1H3,(H,12,13)
InChIKey
QNZHWTVYOBZWSV-UHFFFAOYSA-N
Compound name
3-methyl-5-(thiophen-2-ylmethyl)-1H-pyridazin-6-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

206.05139 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.058666 141.9
[M+Na]+ 229.040608 152.7
[M-H]- 205.044114 145.8
[M+NH4]+ 224.085213 160.4
[M+K]+ 245.014548 147.9
[M+H-H2O]+ 189.048650 135.1
[M+HCOO]- 251.049591 159.8
[M+CH3COO]- 265.065241 155.2
[M+Na-2H]- 227.026056 144.2
[M]+ 206.05084142 143.5
[M]- 206.05193858 143.5
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

No patent data available for this compound.