CID 49811

Vufb-10601

Structural Information

Molecular Formula
C18H25NO
SMILES
CCN(CC)CC(=O)C1=C2CCCC2=CC3=C1CCC3
InChI
InChI=1S/C18H25NO/c1-3-19(4-2)12-17(20)18-15-9-5-7-13(15)11-14-8-6-10-16(14)18/h11H,3-10,12H2,1-2H3
InChIKey
JYKASXPCGNGOTM-UHFFFAOYSA-N
Compound name
2-(diethylamino)-1-(1,2,3,5,6,7-hexahydro-s-indacen-4-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.20088 169.5
[M+Na]+ 294.18282 174.4
[M-H]- 270.18632 175.3
[M+NH4]+ 289.22742 191.7
[M+K]+ 310.15676 171.1
[M+H-H2O]+ 254.19086 163.4
[M+HCOO]- 316.19180 190.1
[M+CH3COO]- 330.20745 206.8
[M+Na-2H]- 292.16827 168.7
[M]+ 271.19305 170.0
[M]- 271.19415 170.0
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.