CID 14578597

88511-32-4

Structural Information

Molecular Formula
C5H5NOS
SMILES
CC1=NSC(=C1)C=O
InChI
InChI=1S/C5H5NOS/c1-4-2-5(3-7)8-6-4/h2-3H,1H3
InChIKey
JDFGXGKKMJLLLD-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

33
Patents

127.009186 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.01646 123.9
[M+Na]+ 149.99840 135.7
[M+NH4]+ 145.04301 133.0
[M+K]+ 165.97234 129.5
[M-H]- 126.00191 125.1
[M+Na-2H]- 147.98385 129.2
[M]+ 127.00864 126.3
[M]- 127.00973 126.3
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