CID 132989236

5-bpdi

Structural Information

Molecular Formula
C19H27NO
SMILES
CCCCC(C(=O)C1=CC2=C(CCC2)C=C1)N3CCCC3
InChI
InChI=1S/C19H27NO/c1-2-3-9-18(20-12-4-5-13-20)19(21)17-11-10-15-7-6-8-16(15)14-17/h10-11,14,18H,2-9,12-13H2,1H3
InChIKey
WETQQOQCDBNIKE-UHFFFAOYSA-N
Compound name
1-(2,3-dihydro-1H-inden-5-yl)-2-pyrrolidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

285.20926 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.21654 174.6
[M+Na]+ 308.19848 177.6
[M-H]- 284.20198 179.4
[M+NH4]+ 303.24308 192.8
[M+K]+ 324.17242 173.7
[M+H-H2O]+ 268.20652 166.8
[M+HCOO]- 330.20746 191.3
[M+CH3COO]- 344.22311 202.3
[M+Na-2H]- 306.18393 171.2
[M]+ 285.20871 171.7
[M]- 285.20981 171.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.