CID 14019688

864958-51-0

Structural Information

Molecular Formula

C₁₀H₁₈N₂O₂S

SMILES

CC(C)(C)OC(=O)N1CCCC1C(=S)N

InChI

InChI=1S/C10H18N2O2S/c1-10(2,3)14-9(13)12-6-4-5-7(12)8(11)15/h7H,4-6H2,1-3H3,(H2,11,15)

InChIKey

KPAOKCBKJXBXNI-UHFFFAOYSA-N

Compound name

tert-butyl 2-carbamothioylpyrrolidine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 184
Patents: 230.1089 Da
Monoisotopic Mass: 0.6
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]+	231.11618	155.3
[M+Na]+	253.09812	160.8
[M-H]-	229.10162	156.8
[M+NH4]+	248.14272	173.9
[M+K]+	269.07206	159.2
[M+H-H2O]+	213.10616	149.5
[M+HCOO]-	275.10710	168.4
[M+CH3COO]-	289.12275	189.2
[M+Na-2H]-	251.08357	152.9
[M]+	230.10835	154.3
[M]-	230.10945	154.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe