CID 4016996

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

Structural Information

Molecular Formula
C9H16N2S
SMILES
CC(C1=NC(=CS1)C(C)(C)C)N
InChI
InChI=1S/C9H16N2S/c1-6(10)8-11-7(5-12-8)9(2,3)4/h5-6H,10H2,1-4H3
InChIKey
FLWXMRRARGBNSW-UHFFFAOYSA-N
Compound name
1-(4-tert-butyl-1,3-thiazol-2-yl)ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

184.10342 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11070 143.3
[M+Na]+ 207.09264 152.5
[M+NH4]+ 202.13724 151.6
[M+K]+ 223.06658 147.6
[M-H]- 183.09614 144.3
[M+Na-2H]- 205.07809 147.2
[M]+ 184.10287 145.2
[M]- 184.10397 145.2
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

patents stripe