CID 12093220

196811-66-2

Structural Information

Molecular Formula

C₁₀H₁₉N₃O₂S

SMILES

CC(C)(C)OC(=O)N1CCN(CC1)C(=S)N

InChI

InChI=1S/C10H19N3O2S/c1-10(2,3)15-9(14)13-6-4-12(5-7-13)8(11)16/h4-7H2,1-3H3,(H2,11,16)

InChIKey

JBKRAGACGOPWFP-UHFFFAOYSA-N

Compound name

tert-butyl 4-carbamothioylpiperazine-1-carboxylate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 211
Patents: 245.1198 Da
Monoisotopic Mass: 0.4
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]+	246.12708	158.0
[M+Na]+	268.10902	162.6
[M-H]-	244.11252	157.6
[M+NH4]+	263.15362	172.7
[M+K]+	284.08296	160.7
[M+H-H2O]+	228.11706	151.1
[M+HCOO]-	290.11800	167.7
[M+CH3COO]-	304.13365	191.7
[M+Na-2H]-	266.09447	157.0
[M]+	245.11925	155.2
[M]-	245.12035	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe