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]+ 248.16451 157.9
[M+Na]+ 270.14645 163.8
[M-H]- 246.14995 162.8
[M+NH4]+ 265.19105 174.8
[M+K]+ 286.12039 160.8
[M+H-H2O]+ 230.15449 150.8
[M+HCOO]- 292.15543 173.5
[M+CH3COO]- 306.17108 168.9
[M+Na-2H]- 268.13190 159.9
[M]+ 247.15668 154.5
[M]- 247.15778 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.