CID 132371401

2155855-91-5

Structural Information

Molecular Formula
C7H7N3OS
SMILES
CN1C=C(C=N1)C2=NC=C(S2)O
InChI
InChI=1S/C7H7N3OS/c1-10-4-5(2-9-10)7-8-3-6(11)12-7/h2-4,11H,1H3
InChIKey
LJVSPWYMBWAVGE-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)-1,3-thiazol-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

181.03099 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 182.03827 133.8
[M+Na]+ 204.02021 146.8
[M-H]- 180.02371 137.6
[M+NH4]+ 199.06481 154.1
[M+K]+ 219.99415 143.8
[M+H-H2O]+ 164.02825 127.4
[M+HCOO]- 226.02919 153.6
[M+CH3COO]- 240.04484 148.6
[M+Na-2H]- 202.00566 135.7
[M]+ 181.03044 138.0
[M]- 181.03154 138.0
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.