CID 50986464

Tert-butyl n-(1-carbamothioylcyclopentyl)carbamate

Structural Information

Molecular Formula

C₁₁H₂₀N₂O₂S

SMILES

CC(C)(C)OC(=O)NC1(CCCC1)C(=S)N

InChI

InChI=1S/C11H20N2O2S/c1-10(2,3)15-9(14)13-11(8(12)16)6-4-5-7-11/h4-7H2,1-3H3,(H2,12,16)(H,13,14)

InChIKey

KZCTWESWQKGOJO-UHFFFAOYSA-N

Compound name

tert-butyl N-(1-carbamothioylcyclopentyl)carbamate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 244.12454 Da
Monoisotopic Mass: 1.5
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	158.0
[M+Na]+	267.113758	162.0
[M-H]-	243.117264	160.2
[M+NH4]+	262.158363	178.5
[M+K]+	283.087698	160.4
[M+H-H2O]+	227.121800	153.3
[M+HCOO]-	289.122741	172.8
[M+CH3COO]-	303.138391	192.9
[M+Na-2H]-	265.099206	158.1
[M]+	244.12399142	156.0
[M]-	244.12508858	156.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe