CID 21667605

1-[2-(propan-2-yl)-1,3-thiazol-4-yl]ethan-1-amine

Structural Information

Molecular Formula
C8H14N2S
SMILES
CC(C)C1=NC(=CS1)C(C)N
InChI
InChI=1S/C8H14N2S/c1-5(2)8-10-7(4-11-8)6(3)9/h4-6H,9H2,1-3H3
InChIKey
LREHYSNVFRWIKM-UHFFFAOYSA-N
Compound name
1-(2-propan-2-yl-1,3-thiazol-4-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.09505 137.4
[M+Na]+ 193.07699 145.2
[M-H]- 169.08049 139.8
[M+NH4]+ 188.12159 158.7
[M+K]+ 209.05093 143.3
[M+H-H2O]+ 153.08503 131.3
[M+HCOO]- 215.08597 154.7
[M+CH3COO]- 229.10162 181.8
[M+Na-2H]- 191.06244 136.7
[M]+ 170.08722 137.9
[M]- 170.08832 137.9
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