CID 61280352

2-(1-methyl-1h-pyrazol-4-yl)-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C8H7N3OS
SMILES
CN1C=C(C=N1)C2=NC=C(S2)C=O
InChI
InChI=1S/C8H7N3OS/c1-11-4-6(2-10-11)8-9-3-7(5-12)13-8/h2-5H,1H3
InChIKey
OHBPGVNFVPEAND-UHFFFAOYSA-N
Compound name
2-(1-methylpyrazol-4-yl)-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

193.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.03827 137.5
[M+Na]+ 216.02021 150.7
[M-H]- 192.02371 142.5
[M+NH4]+ 211.06481 157.9
[M+K]+ 231.99415 147.8
[M+H-H2O]+ 176.02825 130.6
[M+HCOO]- 238.02919 158.6
[M+CH3COO]- 252.04484 152.5
[M+Na-2H]- 214.00566 139.2
[M]+ 193.03044 143.1
[M]- 193.03154 143.1
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