CID 24274409

1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethan-1-one

Structural Information

Molecular Formula
C7H10N2OS
SMILES
CC1=C(SC(=N1)CN)C(=O)C
InChI
InChI=1S/C7H10N2OS/c1-4-7(5(2)10)11-6(3-8)9-4/h3,8H2,1-2H3
InChIKey
ACOBFEDOCFEQBQ-UHFFFAOYSA-N
Compound name
1-[2-(aminomethyl)-4-methyl-1,3-thiazol-5-yl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.05139 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.05867 134.7
[M+Na]+ 193.04061 144.1
[M-H]- 169.04411 137.5
[M+NH4]+ 188.08521 156.1
[M+K]+ 209.01455 141.8
[M+H-H2O]+ 153.04865 128.8
[M+HCOO]- 215.04959 153.7
[M+CH3COO]- 229.06524 180.2
[M+Na-2H]- 191.02606 134.9
[M]+ 170.05084 136.4
[M]- 170.05194 136.4
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.