CID 3064218

Brn 0210847

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1COCCN1CC2=C(C=C3CCCC3=C2)O
InChI
InChI=1S/C15H21NO2/c1-11-10-18-6-5-16(11)9-14-7-12-3-2-4-13(12)8-15(14)17/h7-8,11,17H,2-6,9-10H2,1H3
InChIKey
QATLHXRCKJCWMN-UHFFFAOYSA-N
Compound name
6-[(3-methylmorpholin-4-yl)methyl]-2,3-dihydro-1H-inden-5-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 157.9
[M+Na]+ 270.146448 163.8
[M-H]- 246.149954 162.8
[M+NH4]+ 265.191053 174.8
[M+K]+ 286.120388 160.8
[M+H-H2O]+ 230.154490 150.8
[M+HCOO]- 292.155431 173.5
[M+CH3COO]- 306.171081 168.9
[M+Na-2H]- 268.131896 159.9
[M]+ 247.15668142 154.5
[M]- 247.15777858 154.5
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.