CID 88889

1-(3,4-dihydro-2-naphthyl)pyrrolidine

Structural Information

Molecular Formula
C14H17N
SMILES
C1CCN(C1)C2=CC3=CC=CC=C3CC2
InChI
InChI=1S/C14H17N/c1-2-6-13-11-14(8-7-12(13)5-1)15-9-3-4-10-15/h1-2,5-6,11H,3-4,7-10H2
InChIKey
YWYAUYAEQBYZFN-UHFFFAOYSA-N
Compound name
1-(3,4-dihydronaphthalen-2-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

154
Patents

199.1361 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 200.14338 145.0
[M+Na]+ 222.12532 150.9
[M-H]- 198.12882 150.4
[M+NH4]+ 217.16992 165.3
[M+K]+ 238.09926 146.8
[M+H-H2O]+ 182.13336 137.3
[M+HCOO]- 244.13430 164.5
[M+CH3COO]- 258.14995 157.2
[M+Na-2H]- 220.11077 149.5
[M]+ 199.13555 140.2
[M]- 199.13665 140.2
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

patents stripe