CID 138040260

2243513-95-1

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 152.0
[M+Na]+ 258.10354 159.6
[M+NH4]+ 253.14814 160.8
[M+K]+ 274.07748 153.2
[M-H]- 234.10704 155.5
[M+Na-2H]- 256.08899 156.1
[M]+ 235.11377 154.1
[M]- 235.11487 154.1
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.