CID 9794656

Org-37684

Structural Information

Molecular Formula
C14H19NO2
SMILES
COC1=C(C2=C(CCC2)C=C1)O[C@H]3CCNC3
InChI
InChI=1S/C14H19NO2/c1-16-13-6-5-10-3-2-4-12(10)14(13)17-11-7-8-15-9-11/h5-6,11,15H,2-4,7-9H2,1H3/t11-/m0/s1
InChIKey
QDJAYXYEXHVXJV-NSHDSACASA-N
Compound name
(3S)-3-[(5-methoxy-2,3-dihydro-1H-inden-4-yl)oxy]pyrrolidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

38
Patents

233.14159 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 234.14887 154.0
[M+Na]+ 256.13081 160.0
[M-H]- 232.13431 158.6
[M+NH4]+ 251.17541 174.3
[M+K]+ 272.10475 156.6
[M+H-H2O]+ 216.13885 147.3
[M+HCOO]- 278.13979 173.1
[M+CH3COO]- 292.15544 165.7
[M+Na-2H]- 254.11626 154.9
[M]+ 233.14104 151.5
[M]- 233.14214 151.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe