CID 22611684

2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CN(C)CC1=NC(=CS1)C=O
InChI
InChI=1S/C7H10N2OS/c1-9(2)3-7-8-6(4-10)5-11-7/h4-5H,3H2,1-2H3
InChIKey
YIKRYWHYPPRTPL-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-1,3-thiazole-4-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

54
Patents

170.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.058666 134.3
[M+Na]+ 193.040608 143.4
[M-H]- 169.044114 138.8
[M+NH4]+ 188.085213 156.5
[M+K]+ 209.014548 142.5
[M+H-H2O]+ 153.048650 127.9
[M+HCOO]- 215.049591 155.6
[M+CH3COO]- 229.065241 182.4
[M+Na-2H]- 191.026056 136.7
[M]+ 170.05084142 138.6
[M]- 170.05193858 138.6
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