CID 2826335

117174-86-4

Structural Information

Molecular Formula

C₁₀H₁₂N₂S

SMILES

C1CC2=C(C1)C=C(C=C2)NC(=S)N

InChI

InChI=1S/C10H12N2S/c11-10(13)12-9-5-4-7-2-1-3-8(7)6-9/h4-6H,1-3H2,(H3,11,12,13)

InChIKey

FFJKDGGVANMBQI-UHFFFAOYSA-N

Compound name

2,3-dihydro-1H-inden-5-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 192.07211 Da
Monoisotopic Mass: 2.0
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]+	193.07939	139.5
[M+Na]+	215.06133	146.7
[M-H]-	191.06483	143.6
[M+NH4]+	210.10593	161.8
[M+K]+	231.03527	142.7
[M+H-H2O]+	175.06937	134.1
[M+HCOO]-	237.07031	158.3
[M+CH3COO]-	251.08596	185.4
[M+Na-2H]-	213.04678	142.2
[M]+	192.07156	137.0
[M]-	192.07266	137.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe