CID 3071499

137376-71-7

Structural Information

Molecular Formula
C16H23NO3
SMILES
CCOC1=C(C=C2C(=C1)CC(C2=O)CN(C)C)OCC
InChI
InChI=1S/C16H23NO3/c1-5-19-14-8-11-7-12(10-17(3)4)16(18)13(11)9-15(14)20-6-2/h8-9,12H,5-7,10H2,1-4H3
InChIKey
LRTGEVKHQLQFCC-UHFFFAOYSA-N
Compound name
2-[(dimethylamino)methyl]-5,6-diethoxy-2,3-dihydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.1678 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.17508 165.1
[M+Na]+ 300.15702 172.7
[M-H]- 276.16052 171.0
[M+NH4]+ 295.20162 185.1
[M+K]+ 316.13096 171.1
[M+H-H2O]+ 260.16506 158.8
[M+HCOO]- 322.16600 188.7
[M+CH3COO]- 336.18165 208.4
[M+Na-2H]- 298.14247 166.4
[M]+ 277.16725 171.2
[M]- 277.16835 171.2
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.