CID 54594887

[1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)ethyl](methyl)amine

Structural Information

Molecular Formula
C9H16N2S
SMILES
CCC1=NC(=C(S1)C(C)NC)C
InChI
InChI=1S/C9H16N2S/c1-5-8-11-7(3)9(12-8)6(2)10-4/h6,10H,5H2,1-4H3
InChIKey
BXKICDINHVGKIJ-UHFFFAOYSA-N
Compound name
1-(2-ethyl-4-methyl-1,3-thiazol-5-yl)-N-methylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 140.6
[M+Na]+ 207.09264 149.1
[M-H]- 183.09614 143.6
[M+NH4]+ 202.13724 162.0
[M+K]+ 223.06658 146.8
[M+H-H2O]+ 167.10068 134.5
[M+HCOO]- 229.10162 159.2
[M+CH3COO]- 243.11727 185.8
[M+Na-2H]- 205.07809 140.9
[M]+ 184.10287 143.4
[M]- 184.10397 143.4
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.