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 142.4
[M+Na]+ 207.09264 150.4
[M-H]- 183.09614 144.8
[M+NH4]+ 202.13724 163.3
[M+K]+ 223.06658 148.3
[M+H-H2O]+ 167.10068 136.7
[M+HCOO]- 229.10162 158.9
[M+CH3COO]- 243.11727 183.6
[M+Na-2H]- 205.07809 143.0
[M]+ 184.10287 143.2
[M]- 184.10397 143.2
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