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 154.7
[M+Na]+ 254.15153 159.9
[M-H]- 230.15503 159.8
[M+NH4]+ 249.19613 173.8
[M+K]+ 270.12547 156.3
[M+H-H2O]+ 214.15957 146.8
[M+HCOO]- 276.16051 172.4
[M+CH3COO]- 290.17616 165.9
[M+Na-2H]- 252.13698 156.9
[M]+ 231.16176 150.5
[M]- 231.16286 150.5
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