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

1
Patents

156.07211 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.079386 132.4
[M+Na]+ 179.061328 140.9
[M-H]- 155.064834 134.9
[M+NH4]+ 174.105933 154.3
[M+K]+ 195.035268 138.8
[M+H-H2O]+ 139.069370 126.4
[M+HCOO]- 201.070311 151.1
[M+CH3COO]- 215.085961 178.0
[M+Na-2H]- 177.046776 133.3
[M]+ 156.07156142 133.1
[M]- 156.07265858 133.1
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

patents stripe