CID 3048273

63886-61-3

Structural Information

Molecular Formula
C15H20BrNO
SMILES
COC1=C2CCCC(C2=C(C=C1)Br)N3CCCC3
InChI
InChI=1S/C15H20BrNO/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
QMHUDWXWTNUHRD-UHFFFAOYSA-N
Compound name
1-(8-bromo-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.0728 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08008 169.6
[M+Na]+ 332.06202 178.7
[M-H]- 308.06552 177.5
[M+NH4]+ 327.10662 189.6
[M+K]+ 348.03596 167.4
[M+H-H2O]+ 292.07006 168.7
[M+HCOO]- 354.07100 185.2
[M+CH3COO]- 368.08665 182.2
[M+Na-2H]- 330.04747 171.9
[M]+ 309.07225 184.7
[M]- 309.07335 184.7
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.