CID 86811544

Tert-butyl 3-carbamothioylmorpholine-4-carboxylate

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₃S

SMILES

CC(C)(C)OC(=O)N1CCOCC1C(=S)N

InChI

InChI=1S/C10H18N2O3S/c1-10(2,3)15-9(13)12-4-5-14-6-7(12)8(11)16/h7H,4-6H2,1-3H3,(H2,11,16)

InChIKey

RFPPICGQVBEXDH-UHFFFAOYSA-N

Compound name

tert-butyl 3-carbamothioylmorpholine-4-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 246.10382 Da
Monoisotopic Mass: 0.3
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]+	247.111096	156.8
[M+Na]+	269.093038	161.2
[M-H]-	245.096544	158.5
[M+NH4]+	264.137643	171.4
[M+K]+	285.066978	160.8
[M+H-H2O]+	229.101080	150.4
[M+HCOO]-	291.102021	167.2
[M+CH3COO]-	305.117671	191.8
[M+Na-2H]-	267.078486	156.8
[M]+	246.10327142	155.5
[M]-	246.10436858	155.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe