CID 58874065

936361-25-0

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

CC1=NC=C(S1)NC(=O)OC(C)(C)C

InChI

InChI=1S/C9H14N2O2S/c1-6-10-5-7(14-6)11-8(12)13-9(2,3)4/h5H,1-4H3,(H,11,12)

InChIKey

LTEBHMFRYPZULH-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 9
Patents: 214.0776 Da
Monoisotopic Mass: 2.3
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]+	215.08488	148.6
[M+Na]+	237.06682	156.7
[M-H]-	213.07032	151.6
[M+NH4]+	232.11142	168.5
[M+K]+	253.04076	155.3
[M+H-H2O]+	197.07486	142.7
[M+HCOO]-	259.07580	166.4
[M+CH3COO]-	273.09145	186.1
[M+Na-2H]-	235.05227	150.5
[M]+	214.07705	152.4
[M]-	214.07815	152.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe