CID 3042848

5-thiazolepropanol, 2-methyl-, methylcarbamate (ester)

Structural Information

Molecular Formula

C₉H₁₄N₂O₂S

SMILES

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

InChI

InChI=1S/C9H14N2O2S/c1-7-11-6-8(14-7)4-3-5-13-9(12)10-2/h6H,3-5H2,1-2H3,(H,10,12)

InChIKey

LQWQKHVJTULDNN-UHFFFAOYSA-N

Compound name

3-(2-methyl-1,3-thiazol-5-yl)propyl N-methylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 214.0776 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]+	215.084876	147.3
[M+Na]+	237.066818	155.0
[M-H]-	213.070324	150.0
[M+NH4]+	232.111423	167.0
[M+K]+	253.040758	153.1
[M+H-H2O]+	197.074860	140.7
[M+HCOO]-	259.075801	166.7
[M+CH3COO]-	273.091451	186.4
[M+Na-2H]-	235.052266	148.4
[M]+	214.07705142	151.7
[M]-	214.07814858	151.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe