CID 9570953

100836-63-3

Structural Information

Molecular Formula

C₉H₁₆N₂O₂S

SMILES

CC(C)(C)OC(=O)/N=C/1\N(CCS1)C

InChI

InChI=1S/C9H16N2O2S/c1-9(2,3)13-8(12)10-7-11(4)5-6-14-7/h5-6H2,1-4H3/b10-7+

InChIKey

KMRYLCHANUSCLD-JXMROGBWSA-N

Compound name

tert-butyl (NE)-N-(3-methyl-1,3-thiazolidin-2-ylidene)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 216.09325 Da
Monoisotopic Mass: 1.9
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]+	217.100526	150.5
[M+Na]+	239.082468	157.3
[M-H]-	215.085974	154.1
[M+NH4]+	234.127073	170.8
[M+K]+	255.056408	156.7
[M+H-H2O]+	199.090510	144.5
[M+HCOO]-	261.091451	167.1
[M+CH3COO]-	275.107101	187.9
[M+Na-2H]-	237.067916	151.0
[M]+	216.09270142	152.6
[M]-	216.09379858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.