CID 3492537

100955-55-3

Structural Information

Molecular Formula
C15H17N
SMILES
C1CC(NC1)CC2=CC=CC3=CC=CC=C32
InChI
InChI=1S/C15H17N/c1-2-9-15-12(5-1)6-3-7-13(15)11-14-8-4-10-16-14/h1-3,5-7,9,14,16H,4,8,10-11H2
InChIKey
NXMHVSMJEUHOPT-UHFFFAOYSA-N
Compound name
2-(naphthalen-1-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7
Patents

211.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.14338 149.6
[M+Na]+ 234.12532 163.2
[M+NH4]+ 229.16992 159.9
[M+K]+ 250.09926 156.1
[M-H]- 210.12882 154.3
[M+Na-2H]- 232.11077 157.6
[M]+ 211.13555 152.9
[M]- 211.13665 152.9
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

patents stripe