CID 45121661

1-(2-ethyl-1,3-thiazol-4-yl)ethan-1-amine

Structural Information

Molecular Formula
C7H12N2S
SMILES
CCC1=NC(=CS1)C(C)N
InChI
InChI=1S/C7H12N2S/c1-3-7-9-6(4-10-7)5(2)8/h4-5H,3,8H2,1-2H3
InChIKey
BDXVMDPFRXPRNX-UHFFFAOYSA-N
Compound name
1-(2-ethyl-1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.07939 133.1
[M+Na]+ 179.06133 143.0
[M+NH4]+ 174.10593 141.9
[M+K]+ 195.03527 137.4
[M-H]- 155.06483 134.8
[M+Na-2H]- 177.04678 137.6
[M]+ 156.07156 135.2
[M]- 156.07266 135.2
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.