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

6
Patents

193.03099 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 194.038266 137.5
[M+Na]+ 216.020208 150.7
[M-H]- 192.023714 142.5
[M+NH4]+ 211.064813 157.9
[M+K]+ 231.994148 147.8
[M+H-H2O]+ 176.028250 130.6
[M+HCOO]- 238.029191 158.6
[M+CH3COO]- 252.044841 152.5
[M+Na-2H]- 214.005656 139.2
[M]+ 193.03044142 143.1
[M]- 193.03153858 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