CID 2737798

2-amino-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C4H4N2OS
SMILES
C1=C(SC(=N1)N)C=O
InChI
InChI=1S/C4H4N2OS/c5-4-6-1-3(2-7)8-4/h1-2H,(H2,5,6)
InChIKey
HZKMBJCDAXLMDN-UHFFFAOYSA-N
Compound name
2-amino-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

627
Patents

128.00444 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.01172 120.9
[M+Na]+ 150.99366 131.1
[M-H]- 126.99716 123.8
[M+NH4]+ 146.03826 143.8
[M+K]+ 166.96760 129.1
[M+H-H2O]+ 111.00170 115.3
[M+HCOO]- 173.00264 142.0
[M+CH3COO]- 187.01829 169.1
[M+Na-2H]- 148.97911 124.4
[M]+ 128.00389 121.8
[M]- 128.00499 121.8
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