CID 3042843

60628-43-5

Structural Information

Molecular Formula

C₇H₁₀N₂O₂S

SMILES

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

InChI

InChI=1S/C7H10N2O2S/c1-5-9-3-6(12-5)4-11-7(10)8-2/h3H,4H2,1-2H3,(H,8,10)

InChIKey

PWBSNIGCZNXABS-UHFFFAOYSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2
Patents: 186.0463 Da
Monoisotopic Mass: 0.9
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]+	187.053576	138.4
[M+Na]+	209.035518	147.0
[M-H]-	185.039024	141.4
[M+NH4]+	204.080123	159.2
[M+K]+	225.009458	145.6
[M+H-H2O]+	169.043560	132.1
[M+HCOO]-	231.044501	158.4
[M+CH3COO]-	245.060151	180.4
[M+Na-2H]-	207.020966	140.4
[M]+	186.04575142	142.0
[M]-	186.04684858	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe