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]+ 185.110696 140.6
[M+Na]+ 207.092638 149.1
[M-H]- 183.096144 143.6
[M+NH4]+ 202.137243 162.0
[M+K]+ 223.066578 146.8
[M+H-H2O]+ 167.100680 134.5
[M+HCOO]- 229.101621 159.2
[M+CH3COO]- 243.117271 185.8
[M+Na-2H]- 205.078086 140.9
[M]+ 184.10287142 143.4
[M]- 184.10396858 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.