CID 71758090

1416712-48-5

Structural Information

Molecular Formula

C₉H₁₃ClN₂O₂S

SMILES

CC(C)(C)OC(=O)NCC1=CN=C(S1)Cl

InChI

InChI=1S/C9H13ClN2O2S/c1-9(2,3)14-8(13)12-5-6-4-11-7(10)15-6/h4H,5H2,1-3H3,(H,12,13)

InChIKey

WFLJOXKLVNYGCK-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 36
Patents: 248.03862 Da
Monoisotopic Mass: 2.5
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]+	249.04590	156.1
[M+Na]+	271.02784	165.4
[M+NH4]+	266.07244	163.3
[M+K]+	287.00178	160.4
[M-H]-	247.03134	156.0
[M+Na-2H]-	269.01329	159.4
[M]+	248.03807	157.9
[M]-	248.03917	157.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe