CID 132989238

2748590-83-0

Structural Information

Molecular Formula
C18H25NO
SMILES
CCCC(C(=O)C1=CC2=C(CCC2)C=C1)N3CCCC3
InChI
InChI=1S/C18H25NO/c1-2-6-17(19-11-3-4-12-19)18(20)16-10-9-14-7-5-8-15(14)13-16/h9-10,13,17H,2-8,11-12H2,1H3
InChIKey
NBZPCEWLKPSIIL-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylpentan-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1936 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.200876 170.0
[M+Na]+ 294.182818 173.4
[M-H]- 270.186324 175.0
[M+NH4]+ 289.227423 188.8
[M+K]+ 310.156758 169.7
[M+H-H2O]+ 254.190860 162.4
[M+HCOO]- 316.191801 187.1
[M+CH3COO]- 330.207451 199.3
[M+Na-2H]- 292.168266 167.1
[M]+ 271.19305142 166.8
[M]- 271.19414858 166.8
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.