CID 4868418

Benzyl[1-(thiophen-2-yl)propan-2-yl]amine

Structural Information

Molecular Formula
C14H17NS
SMILES
CC(CC1=CC=CS1)NCC2=CC=CC=C2
InChI
InChI=1S/C14H17NS/c1-12(10-14-8-5-9-16-14)15-11-13-6-3-2-4-7-13/h2-9,12,15H,10-11H2,1H3
InChIKey
PBBCYWGSIIIWGF-UHFFFAOYSA-N
Compound name
N-benzyl-1-thiophen-2-ylpropan-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

0
Patents

231.10817 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.11545 152.9
[M+Na]+ 254.09739 159.1
[M-H]- 230.10089 159.5
[M+NH4]+ 249.14199 172.8
[M+K]+ 270.07133 154.9
[M+H-H2O]+ 214.10543 146.0
[M+HCOO]- 276.10637 173.0
[M+CH3COO]- 290.12202 191.4
[M+Na-2H]- 252.08284 154.6
[M]+ 231.10762 153.9
[M]- 231.10872 153.9
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.