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 152.0
[M+Na]+ 252.08173 159.8
[M-H]- 228.08523 159.7
[M+NH4]+ 247.12633 174.8
[M+K]+ 268.05567 155.5
[M+H-H2O]+ 212.08977 146.7
[M+HCOO]- 274.09071 171.0
[M+CH3COO]- 288.10636 165.0
[M+Na-2H]- 250.06718 151.9
[M]+ 229.09196 151.3
[M]- 229.09306 151.3
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.