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

6
Patents

170.08777 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.095046 137.4
[M+Na]+ 193.076988 145.2
[M-H]- 169.080494 139.8
[M+NH4]+ 188.121593 158.7
[M+K]+ 209.050928 143.3
[M+H-H2O]+ 153.085030 131.3
[M+HCOO]- 215.085971 154.7
[M+CH3COO]- 229.101621 181.8
[M+Na-2H]- 191.062436 136.7
[M]+ 170.08722142 137.9
[M]- 170.08831858 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