CID 3048228

63886-29-3

Structural Information

Molecular Formula
C15H20ClNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Cl)N3CCCC3
InChI
InChI=1S/C15H20ClNO/c1-18-14-8-7-12(16)15-11(14)5-4-6-13(15)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3
InChIKey
BFRJLKDLPOSYFJ-UHFFFAOYSA-N
Compound name
1-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.12335 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.13063 162.7
[M+Na]+ 288.11257 169.6
[M-H]- 264.11607 167.9
[M+NH4]+ 283.15717 181.6
[M+K]+ 304.08651 164.2
[M+H-H2O]+ 248.12061 155.4
[M+HCOO]- 310.12155 175.7
[M+CH3COO]- 324.13720 173.8
[M+Na-2H]- 286.09802 163.5
[M]+ 265.12280 160.9
[M]- 265.12390 160.9
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

No patent data available for this compound.