CID 137942954

1933618-44-0

Structural Information

Molecular Formula
C9H9N3O2S
SMILES
CCOC(=O)C1=CSC(=N1)C2=CNN=C2
InChI
InChI=1S/C9H9N3O2S/c1-2-14-9(13)7-5-15-8(12-7)6-3-10-11-4-6/h3-5H,2H2,1H3,(H,10,11)
InChIKey
XSYKCJJHDBCSMW-UHFFFAOYSA-N
Compound name
ethyl 2-(1H-pyrazol-4-yl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.04155 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.04883 146.2
[M+Na]+ 246.03077 157.1
[M-H]- 222.03427 149.5
[M+NH4]+ 241.07537 164.3
[M+K]+ 262.00471 154.2
[M+H-H2O]+ 206.03881 139.0
[M+HCOO]- 268.03975 164.7
[M+CH3COO]- 282.05540 159.4
[M+Na-2H]- 244.01622 146.8
[M]+ 223.04100 150.6
[M]- 223.04210 150.6
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.