CID 62928439

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

Structural Information

Molecular Formula
C9H16N2S
SMILES
CC(C)(C)C1=NC(=CS1)CCN
InChI
InChI=1S/C9H16N2S/c1-9(2,3)8-11-7(4-5-10)6-12-8/h6H,4-5,10H2,1-3H3
InChIKey
BFPJCSLSQJEZMP-UHFFFAOYSA-N
Compound name
2-(2-tert-butyl-1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 142.2
[M+Na]+ 207.092638 150.6
[M-H]- 183.096144 144.5
[M+NH4]+ 202.137243 163.2
[M+K]+ 223.066578 147.9
[M+H-H2O]+ 167.100680 136.4
[M+HCOO]- 229.101621 159.7
[M+CH3COO]- 243.117271 182.8
[M+Na-2H]- 205.078086 143.9
[M]+ 184.10287142 143.6
[M]- 184.10396858 143.6
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