CID 3048238

63886-34-0

Structural Information

Molecular Formula
C15H21NO
SMILES
COC1=CC=CC2=C1CCCC2N3CCCC3
InChI
InChI=1S/C15H21NO/c1-17-15-9-5-6-12-13(15)7-4-8-14(12)16-10-2-3-11-16/h5-6,9,14H,2-4,7-8,10-11H2,1H3
InChIKey
DXSKTBQOILPDGW-UHFFFAOYSA-N
Compound name
1-(5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

231.16231 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.16959 155.2
[M+Na]+ 254.15153 167.4
[M+NH4]+ 249.19613 165.2
[M+K]+ 270.12547 161.1
[M-H]- 230.15503 159.6
[M+Na-2H]- 252.13698 161.2
[M]+ 231.16176 158.1
[M]- 231.16286 158.1
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