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]+ 171.058666 134.7
[M+Na]+ 193.040608 144.1
[M-H]- 169.044114 137.5
[M+NH4]+ 188.085213 156.1
[M+K]+ 209.014548 141.8
[M+H-H2O]+ 153.048650 128.8
[M+HCOO]- 215.049591 153.7
[M+CH3COO]- 229.065241 180.2
[M+Na-2H]- 191.026056 134.9
[M]+ 170.05084142 136.4
[M]- 170.05193858 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.