CID 3042218

1,3-indandione, 2-ethyl-2-(propylamino)-

Structural Information

Molecular Formula
C14H17NO2
SMILES
CCCNC1(C(=O)C2=CC=CC=C2C1=O)CC
InChI
InChI=1S/C14H17NO2/c1-3-9-15-14(4-2)12(16)10-7-5-6-8-11(10)13(14)17/h5-8,15H,3-4,9H2,1-2H3
InChIKey
RLAYLYJRZGEYFU-UHFFFAOYSA-N
Compound name
2-ethyl-2-(propylamino)indene-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

231.12593 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 232.13321 150.6
[M+Na]+ 254.11515 159.6
[M-H]- 230.11865 155.6
[M+NH4]+ 249.15975 173.7
[M+K]+ 270.08909 155.9
[M+H-H2O]+ 214.12319 145.6
[M+HCOO]- 276.12413 174.6
[M+CH3COO]- 290.13978 194.3
[M+Na-2H]- 252.10060 155.6
[M]+ 231.12538 152.6
[M]- 231.12648 152.6
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.