CID 92133067

Tert-butyl (2-cyclopropylthiazol-5-yl)carbamate

Structural Information

Molecular Formula

C₁₁H₁₆N₂O₂S

SMILES

CC(C)(C)OC(=O)NC1=CN=C(S1)C2CC2

InChI

InChI=1S/C11H16N2O2S/c1-11(2,3)15-10(14)13-8-6-12-9(16-8)7-4-5-7/h6-7H,4-5H2,1-3H3,(H,13,14)

InChIKey

TXFVNUUHCGQKJG-UHFFFAOYSA-N

Compound name

tert-butyl N-(2-cyclopropyl-1,3-thiazol-5-yl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 240.09325 Da
Monoisotopic Mass: 2.4
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]+	241.100526	152.0
[M+Na]+	263.082468	160.9
[M-H]-	239.085974	158.5
[M+NH4]+	258.127073	165.9
[M+K]+	279.056408	157.5
[M+H-H2O]+	223.090510	145.5
[M+HCOO]-	285.091451	169.7
[M+CH3COO]-	299.107101	193.4
[M+Na-2H]-	261.067916	153.8
[M]+	240.09270142	157.6
[M]-	240.09379858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.