CID 16227042

2792185-26-1

Structural Information

Molecular Formula
C14H15NS
SMILES
C1CC2=C(C1)C=C(C=C2)C(C3=CC=CS3)N
InChI
InChI=1S/C14H15NS/c15-14(13-5-2-8-16-13)12-7-6-10-3-1-4-11(10)9-12/h2,5-9,14H,1,3-4,15H2
InChIKey
VWKRPRAHESWVTR-UHFFFAOYSA-N
Compound name
2,3-dihydro-1H-inden-5-yl(thiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.09251 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.09979 150.3
[M+Na]+ 252.08173 161.1
[M+NH4]+ 247.12633 161.1
[M+K]+ 268.05567 155.4
[M-H]- 228.08523 155.6
[M+Na-2H]- 250.06718 156.8
[M]+ 229.09196 153.8
[M]- 229.09306 153.8
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.