CID 110874

72336-00-6

Structural Information

Molecular Formula
C15H22N2O
SMILES
CCN(CC)CC(=O)NC1CCC2=CC=CC=C12
InChI
InChI=1S/C15H22N2O/c1-3-17(4-2)11-15(18)16-14-10-9-12-7-5-6-8-13(12)14/h5-8,14H,3-4,9-11H2,1-2H3,(H,16,18)
InChIKey
WNBMGEXKKSPUBS-UHFFFAOYSA-N
Compound name
2-(diethylamino)-N-(2,3-dihydro-1H-inden-1-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

246.17322 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 247.18050 159.9
[M+Na]+ 269.16244 164.2
[M-H]- 245.16594 164.9
[M+NH4]+ 264.20704 180.0
[M+K]+ 285.13638 162.2
[M+H-H2O]+ 229.17048 152.8
[M+HCOO]- 291.17142 183.5
[M+CH3COO]- 305.18707 202.8
[M+Na-2H]- 267.14789 162.6
[M]+ 246.17267 160.1
[M]- 246.17377 160.1
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.