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]+	187.05358	138.4
[M+Na]+	209.03552	147.0
[M-H]-	185.03902	141.4
[M+NH4]+	204.08012	159.2
[M+K]+	225.00946	145.6
[M+H-H2O]+	169.04356	132.1
[M+HCOO]-	231.04450	158.4
[M+CH3COO]-	245.06015	180.4
[M+Na-2H]-	207.02097	140.4
[M]+	186.04575	142.0
[M]-	186.04685	142.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe