CID 74788471

1373223-09-6

Structural Information

Molecular Formula

C₈H₁₁ClN₂O₂S

SMILES

CC(C)(C)OC(=O)NC1=NC(=CS1)Cl

InChI

InChI=1S/C8H11ClN2O2S/c1-8(2,3)13-7(12)11-6-10-5(9)4-14-6/h4H,1-3H3,(H,10,11,12)

InChIKey

RRRSEOPYCBAJKC-UHFFFAOYSA-N

Compound name

tert-butyl N-(4-chloro-1,3-thiazol-2-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 234.02298 Da
Monoisotopic Mass: 2.8
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]+	235.030256	150.7
[M+Na]+	257.012198	159.8
[M-H]-	233.015704	153.9
[M+NH4]+	252.056803	170.6
[M+K]+	272.986138	156.8
[M+H-H2O]+	217.020240	145.6
[M+HCOO]-	279.021181	164.2
[M+CH3COO]-	293.036831	186.8
[M+Na-2H]-	254.997646	152.6
[M]+	234.02243142	155.8
[M]-	234.02352858	155.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe