CID 28975321

1-methyl-1h-pyrazole-4-thiol

Structural Information

Molecular Formula
C4H6N2S
SMILES
CN1C=C(C=N1)S
InChI
InChI=1S/C4H6N2S/c1-6-3-4(7)2-5-6/h2-3,7H,1H3
InChIKey
ZZXZISJPKIPFEY-UHFFFAOYSA-N
Compound name
1-methylpyrazole-4-thiol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

29
Patents

114.02517 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 115.03245 117.9
[M+Na]+ 137.01439 129.1
[M-H]- 113.01789 120.0
[M+NH4]+ 132.05899 140.9
[M+K]+ 152.98833 127.9
[M+H-H2O]+ 97.022430 112.1
[M+HCOO]- 159.02337 137.1
[M+CH3COO]- 173.03902 166.9
[M+Na-2H]- 134.99984 121.8
[M]+ 114.02462 120.5
[M]- 114.02572 120.5
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

patents stripe