CID 115719

64039-18-5

Structural Information

Molecular Formula
C15H20ClNO2
SMILES
COC1=C2CCCC(C2=C(C=C1)Cl)N3CCOCC3
InChI
InChI=1S/C15H20ClNO2/c1-18-14-6-5-12(16)15-11(14)3-2-4-13(15)17-7-9-19-10-8-17/h5-6,13H,2-4,7-10H2,1H3
InChIKey
XEGVJFWBIDNQMB-UHFFFAOYSA-N
Compound name
4-(8-chloro-5-methoxy-1,2,3,4-tetrahydronaphthalen-1-yl)morpholine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.11826 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12554 164.5
[M+Na]+ 304.10748 170.5
[M-H]- 280.11098 169.9
[M+NH4]+ 299.15208 179.4
[M+K]+ 320.08142 166.9
[M+H-H2O]+ 264.11552 156.4
[M+HCOO]- 326.11646 174.6
[M+CH3COO]- 340.13211 174.8
[M+Na-2H]- 302.09293 168.0
[M]+ 281.11771 162.7
[M]- 281.11881 162.7
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.