CID 18000692

Cyclobutylthiourea

Structural Information

Molecular Formula

C₅H₁₀N₂S

SMILES

C1CC(C1)NC(=S)N

InChI

InChI=1S/C5H10N2S/c6-5(8)7-4-2-1-3-4/h4H,1-3H2,(H3,6,7,8)

InChIKey

KTNJMTPGENILGB-UHFFFAOYSA-N

Compound name

cyclobutylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 64
Patents: 130.05647 Da
Monoisotopic Mass: 0.5
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]+	131.063746	125.8
[M+Na]+	153.045688	129.0
[M-H]-	129.049194	128.2
[M+NH4]+	148.090293	140.2
[M+K]+	169.019628	130.6
[M+H-H2O]+	113.053730	113.5
[M+HCOO]-	175.054671	142.6
[M+CH3COO]-	189.070321	177.7
[M+Na-2H]-	151.031136	127.5
[M]+	130.05592142	130.1
[M]-	130.05701858	130.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe