CID 121761

30074-67-0

Structural Information

Molecular Formula
C15H20ClNO
SMILES
COC1=C2C(CCCC2=C(C=C1)Cl)N3CCCC3
InChI
InChI=1S/C15H20ClNO/c1-18-14-8-7-12(16)11-5-4-6-13(15(11)14)17-9-2-3-10-17/h7-8,13H,2-6,9-10H2,1H3
InChIKey
AGRGLLDGWVXRKC-UHFFFAOYSA-N
Compound name
1-(5-chloro-8-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 160.0
[M+Na]+ 288.11257 173.4
[M+NH4]+ 283.15717 170.2
[M+K]+ 304.08651 166.4
[M-H]- 264.11607 164.4
[M+Na-2H]- 286.09802 165.9
[M]+ 265.12280 163.5
[M]- 265.12390 163.5
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

No patent data available for this compound.