CID 66372910

Tert-butyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate hydrochloride

Structural Information

Molecular Formula
C10H16N2O2S
SMILES
CC(C)(C)OC(=O)C1=CSC(=N1)CCN
InChI
InChI=1S/C10H16N2O2S/c1-10(2,3)14-9(13)7-6-15-8(12-7)4-5-11/h6H,4-5,11H2,1-3H3
InChIKey
ANBCQIOLTWURLK-UHFFFAOYSA-N
Compound name
tert-butyl 2-(2-aminoethyl)-1,3-thiazole-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

228.09325 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.10053 153.1
[M+Na]+ 251.08247 160.7
[M-H]- 227.08597 155.3
[M+NH4]+ 246.12707 172.1
[M+K]+ 267.05641 158.7
[M+H-H2O]+ 211.09051 147.0
[M+HCOO]- 273.09145 170.0
[M+CH3COO]- 287.10710 189.1
[M+Na-2H]- 249.06792 153.6
[M]+ 228.09270 156.3
[M]- 228.09380 156.3
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

No patent data available for this compound.