CID 12955274

3-methyl-1,2-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C5H5NOS
SMILES
CC1=NSC=C1C=O
InChI
InChI=1S/C5H5NOS/c1-4-5(2-7)3-8-6-4/h2-3H,1H3
InChIKey
ILOLGPQFVGOIHL-UHFFFAOYSA-N
Compound name
3-methyl-1,2-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

127.009186 Da
Monoisotopic Mass

0.8
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

No literature data available for this compound.

Patent stripe

patents stripe