CID 12846796

85656-49-1

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC1=C(SC(=N1)N(C)C)C=O
InChI
InChI=1S/C7H10N2OS/c1-5-6(4-10)11-7(8-5)9(2)3/h4H,1-3H3
InChIKey
ZEJDCOIUGAVMFI-UHFFFAOYSA-N
Compound name
2-(dimethylamino)-4-methyl-1,3-thiazole-5-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 133.7
[M+Na]+ 193.04061 143.7
[M-H]- 169.04411 138.5
[M+NH4]+ 188.08521 156.2
[M+K]+ 209.01455 142.7
[M+H-H2O]+ 153.04865 127.7
[M+HCOO]- 215.04959 154.9
[M+CH3COO]- 229.06524 183.5
[M+Na-2H]- 191.02606 135.5
[M]+ 170.05084 138.4
[M]- 170.05194 138.4
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.