CID 45792420

1-methyl-4-[(1-methyl-1h-pyrazol-4-yl)disulfanyl]-1h-pyrazole

Structural Information

Molecular Formula
C8H10N4S2
SMILES
CN1C=C(C=N1)SSC2=CN(N=C2)C
InChI
InChI=1S/C8H10N4S2/c1-11-5-7(3-9-11)13-14-8-4-10-12(2)6-8/h3-6H,1-2H3
InChIKey
YLIDEBOMCPFKEA-UHFFFAOYSA-N
Compound name
1-methyl-4-[(1-methylpyrazol-4-yl)disulfanyl]pyrazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

226.03468 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.04196 143.3
[M+Na]+ 249.02390 157.5
[M-H]- 225.02740 147.1
[M+NH4]+ 244.06850 161.9
[M+K]+ 264.99784 153.4
[M+H-H2O]+ 209.03194 136.8
[M+HCOO]- 271.03288 157.6
[M+CH3COO]- 285.04853 157.2
[M+Na-2H]- 247.00935 142.2
[M]+ 226.03413 149.8
[M]- 226.03523 149.8
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.