CID 3048226

63886-28-2

Structural Information

Molecular Formula
C16H22ClNO2
SMILES
COC1=CC(=C2CCCC(C2=C1OC)N3CCCC3)Cl
InChI
InChI=1S/C16H22ClNO2/c1-19-14-10-12(17)11-6-5-7-13(15(11)16(14)20-2)18-8-3-4-9-18/h10,13H,3-9H2,1-2H3
InChIKey
AZBDCBMLONGJAW-UHFFFAOYSA-N
Compound name
1-(5-chloro-7,8-dimethoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.1339 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.14118 167.1
[M+Na]+ 318.12312 180.1
[M+NH4]+ 313.16772 176.6
[M+K]+ 334.09706 173.7
[M-H]- 294.12662 171.1
[M+Na-2H]- 316.10857 172.1
[M]+ 295.13335 170.4
[M]- 295.13445 170.4
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.