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]+ 182.038266 133.8
[M+Na]+ 204.020208 146.8
[M-H]- 180.023714 137.6
[M+NH4]+ 199.064813 154.1
[M+K]+ 219.994148 143.8
[M+H-H2O]+ 164.028250 127.4
[M+HCOO]- 226.029191 153.6
[M+CH3COO]- 240.044841 148.6
[M+Na-2H]- 202.005656 135.7
[M]+ 181.03044142 138.0
[M]- 181.03153858 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.