CID 326298

2-(naphthalen-2-ylmethyl)pyrrolidine hydrochloride

Structural Information

Molecular Formula
C15H17N
SMILES
C1CC(NC1)CC2=CC3=CC=CC=C3C=C2
InChI
InChI=1S/C15H17N/c1-2-5-14-10-12(7-8-13(14)4-1)11-15-6-3-9-16-15/h1-2,4-5,7-8,10,15-16H,3,6,9,11H2
InChIKey
WYUUOCBNKQDCRG-UHFFFAOYSA-N
Compound name
2-(naphthalen-2-ylmethyl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

211.1361 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 212.143376 148.2
[M+Na]+ 234.125318 154.3
[M-H]- 210.128824 152.4
[M+NH4]+ 229.169923 167.4
[M+K]+ 250.099258 148.8
[M+H-H2O]+ 194.133360 140.6
[M+HCOO]- 256.134301 167.2
[M+CH3COO]- 270.149951 159.8
[M+Na-2H]- 232.110766 152.8
[M]+ 211.13555142 143.3
[M]- 211.13664858 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