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

10
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 148.2
[M+Na]+ 234.12532 154.3
[M-H]- 210.12882 152.4
[M+NH4]+ 229.16992 167.4
[M+K]+ 250.09926 148.8
[M+H-H2O]+ 194.13336 140.6
[M+HCOO]- 256.13430 167.2
[M+CH3COO]- 270.14995 159.8
[M+Na-2H]- 232.11077 152.8
[M]+ 211.13555 143.3
[M]- 211.13665 143.3
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

patents stripe