CID 2734903

1,3-thiazole-2-carbaldehyde

Structural Information

Molecular Formula
C4H3NOS
SMILES
C1=CSC(=N1)C=O
InChI
InChI=1S/C4H3NOS/c6-3-4-5-1-2-7-4/h1-3H
InChIKey
ZGTFNNUASMWGTM-UHFFFAOYSA-N
Compound name
1,3-thiazole-2-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5746
Patents

112.99354 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 114.00082 117.1
[M+Na]+ 135.98276 127.5
[M-H]- 111.98626 120.4
[M+NH4]+ 131.02736 141.0
[M+K]+ 151.95670 126.3
[M+H-H2O]+ 95.990800 111.9
[M+HCOO]- 157.99174 138.0
[M+CH3COO]- 172.00739 164.1
[M+Na-2H]- 133.96821 121.9
[M]+ 112.99299 119.5
[M]- 112.99409 119.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe