CID 12750667

52599-24-3

Structural Information

Molecular Formula

C₈H₁₈N₂S

SMILES

CC(C)NC(=S)NC(C)(C)C

InChI

InChI=1S/C8H18N2S/c1-6(2)9-7(11)10-8(3,4)5/h6H,1-5H3,(H2,9,10,11)

InChIKey

JKZGKJJRHXYLRI-UHFFFAOYSA-N

Compound name

1-tert-butyl-3-propan-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 162
Patents: 174.11906 Da
Monoisotopic Mass: 1.8
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]+	175.12634	141.9
[M+Na]+	197.10828	146.9
[M-H]-	173.11178	142.2
[M+NH4]+	192.15288	162.3
[M+K]+	213.08222	145.5
[M+H-H2O]+	157.11632	136.6
[M+HCOO]-	219.11726	157.9
[M+CH3COO]-	233.13291	185.7
[M+Na-2H]-	195.09373	143.2
[M]+	174.11851	141.5
[M]-	174.11961	141.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe