CID 9118365

2-(dimethylamino)-4-methoxy-1,3-thiazole-5-carbaldehyde

Structural Information

Molecular Formula
C7H10N2O2S
SMILES
CN(C)C1=NC(=C(S1)C=O)OC
InChI
InChI=1S/C7H10N2O2S/c1-9(2)7-8-6(11-3)5(4-10)12-7/h4H,1-3H3
InChIKey
BFWSWWYUZQFTTD-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-methoxy-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

186.0463 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 187.05358 137.0
[M+Na]+ 209.03552 146.8
[M-H]- 185.03902 141.8
[M+NH4]+ 204.08012 158.7
[M+K]+ 225.00946 146.3
[M+H-H2O]+ 169.04356 130.8
[M+HCOO]- 231.04450 158.5
[M+CH3COO]- 245.06015 185.5
[M+Na-2H]- 207.02097 138.9
[M]+ 186.04575 143.1
[M]- 186.04685 143.1
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

No patent data available for this compound.