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

50
Patents

170.05139 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 134.3
[M+Na]+ 193.04061 143.4
[M-H]- 169.04411 138.8
[M+NH4]+ 188.08521 156.5
[M+K]+ 209.01455 142.5
[M+H-H2O]+ 153.04865 127.9
[M+HCOO]- 215.04959 155.6
[M+CH3COO]- 229.06524 182.4
[M+Na-2H]- 191.02606 136.7
[M]+ 170.05084 138.6
[M]- 170.05194 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