CID 2735648

214834-18-1

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CCC(CC1)C(=S)N

InChI

InChI=1S/C11H20N2O2S/c1-11(2,3)15-10(14)13-6-4-8(5-7-13)9(12)16/h8H,4-7H2,1-3H3,(H2,12,16)

InChIKey

SCGQNJHAAYUQOO-UHFFFAOYSA-N

Compound name

tert-butyl 4-carbamothioylpiperidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 564
Patents: 244.12454 Da
Monoisotopic Mass: 1.1
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]+	245.131816	157.6
[M+Na]+	267.113758	161.7
[M-H]-	243.117264	158.4
[M+NH4]+	262.158363	173.6
[M+K]+	283.087698	159.7
[M+H-H2O]+	227.121800	151.3
[M+HCOO]-	289.122741	168.2
[M+CH3COO]-	303.138391	192.6
[M+Na-2H]-	265.099206	156.1
[M]+	244.12399142	154.8
[M]-	244.12508858	154.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe