CID 157275993

2002073-02-9

Structural Information

Molecular Formula

C₁₀H₁₄N₂O₃S

SMILES

CC(C)(C)OC(=O)NCC(=O)C1=CN=CS1

InChI

InChI=1S/C10H14N2O3S/c1-10(2,3)15-9(14)12-4-7(13)8-5-11-6-16-8/h5-6H,4H2,1-3H3,(H,12,14)

InChIKey

AZCLIGZZHHUUQH-UHFFFAOYSA-N

Compound name

tert-butyl N-[2-oxo-2-(1,3-thiazol-5-yl)ethyl]carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 242.07251 Da
Monoisotopic Mass: 1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	243.079786	156.0
[M+Na]+	265.061728	162.5
[M-H]-	241.065234	158.5
[M+NH4]+	260.106333	174.1
[M+K]+	281.035668	161.3
[M+H-H2O]+	225.069770	149.6
[M+HCOO]-	287.070711	172.9
[M+CH3COO]-	301.086361	189.9
[M+Na-2H]-	263.047176	157.2
[M]+	242.07196142	159.8
[M]-	242.07305858	159.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe