CID 22390231

88511-33-5

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

127.009186 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 128.016462 121.0
[M+Na]+ 149.998404 131.9
[M-H]- 126.001910 124.5
[M+NH4]+ 145.043009 144.7
[M+K]+ 165.972344 130.3
[M+H-H2O]+ 110.006446 115.9
[M+HCOO]- 172.007387 141.6
[M+CH3COO]- 186.023037 168.2
[M+Na-2H]- 147.983852 124.6
[M]+ 127.00863742 124.2
[M]- 127.00973458 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

No literature data available for this compound.

Patent stripe

patents stripe