CID 581339

4-methylthiazole-5-carboxaldehyde

Structural Information

Molecular Formula
C5H5NOS
SMILES
CC1=C(SC=N1)C=O
InChI
InChI=1S/C5H5NOS/c1-4-5(2-7)8-3-6-4/h2-3H,1H3
InChIKey
JJVIEMFQPALZOZ-UHFFFAOYSA-N
Compound name
4-methyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

549
Patents

127.009186 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 121.0
[M+Na]+ 149.99840 131.9
[M-H]- 126.00191 124.5
[M+NH4]+ 145.04301 144.7
[M+K]+ 165.97234 130.3
[M+H-H2O]+ 110.00645 115.9
[M+HCOO]- 172.00739 141.6
[M+CH3COO]- 186.02304 168.2
[M+Na-2H]- 147.98385 124.6
[M]+ 127.00864 124.2
[M]- 127.00973 124.2
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