CID 16227043

875163-67-0

Structural Information

Molecular Formula
C15H17NS
SMILES
C1CCC2=C(C1)C=CC(=C2)C(C3=CC=CS3)N
InChI
InChI=1S/C15H17NS/c16-15(14-6-3-9-17-14)13-8-7-11-4-1-2-5-12(11)10-13/h3,6-10,15H,1-2,4-5,16H2
InChIKey
IOGVVFMJPWFFGW-UHFFFAOYSA-N
Compound name
5,6,7,8-tetrahydronaphthalen-2-yl(thiophen-2-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

243.10817 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.11545 153.9
[M+Na]+ 266.09739 160.0
[M-H]- 242.10089 160.6
[M+NH4]+ 261.14199 174.1
[M+K]+ 282.07133 155.1
[M+H-H2O]+ 226.10543 147.6
[M+HCOO]- 288.10637 170.2
[M+CH3COO]- 302.12202 165.6
[M+Na-2H]- 264.08284 155.0
[M]+ 243.10762 150.9
[M]- 243.10872 150.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.