CID 115773

64048-04-0

Structural Information

Molecular Formula

C₇H₁₂N₂O₂S

SMILES

CC(CSC#N)OC(=O)N(C)C

InChI

InChI=1S/C7H12N2O2S/c1-6(4-12-5-8)11-7(10)9(2)3/h6H,4H2,1-3H3

InChIKey

KAZRKOULDJEIRZ-UHFFFAOYSA-N

Compound name

1-thiocyanatopropan-2-yl N,N-dimethylcarbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 188.06195 Da
Monoisotopic Mass: 1.3
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]+	189.06923	137.3
[M+Na]+	211.05117	144.9
[M+NH4]+	206.09577	141.1
[M+K]+	227.02511	136.9
[M-H]-	187.05467	129.8
[M+Na-2H]-	209.03662	137.6
[M]+	188.06140	135.5
[M]-	188.06250	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.