CID 138040260

3-(2-aminoethyl)-1-(2,3-dihydro-1h-inden-1-yl)thiourea

Structural Information

Molecular Formula
C12H17N3S
SMILES
C1CC2=CC=CC=C2C1NC(=S)NCCN
InChI
InChI=1S/C12H17N3S/c13-7-8-14-12(16)15-11-6-5-9-3-1-2-4-10(9)11/h1-4,11H,5-8,13H2,(H2,14,15,16)
InChIKey
GDLAPLYVJBLIJJ-UHFFFAOYSA-N
Compound name
1-(2-aminoethyl)-3-(2,3-dihydro-1H-inden-1-yl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.11432 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.12160 150.4
[M+Na]+ 258.10354 155.8
[M-H]- 234.10704 153.9
[M+NH4]+ 253.14814 170.5
[M+K]+ 274.07748 151.3
[M+H-H2O]+ 218.11158 144.1
[M+HCOO]- 280.11252 169.5
[M+CH3COO]- 294.12817 195.8
[M+Na-2H]- 256.08899 152.9
[M]+ 235.11377 147.8
[M]- 235.11487 147.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.