CID 102107923

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Structural Information

Molecular Formula
C16H23NO
SMILES
CCCCC(C(=O)C1=CC=CC=C1)N2CCCC2
InChI
InChI=1S/C16H23NO/c1-2-3-11-15(17-12-7-8-13-17)16(18)14-9-5-4-6-10-14/h4-6,9-10,15H,2-3,7-8,11-13H2,1H3
InChIKey
KYIJLDDXQWBNGX-UHFFFAOYSA-N
Compound name
1-phenyl-2-pyrrolidin-1-ylhexan-1-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

10
References

37
Patents

245.17796 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 246.18524 161.7
[M+Na]+ 268.16718 164.9
[M-H]- 244.17068 165.6
[M+NH4]+ 263.21178 178.7
[M+K]+ 284.14112 161.9
[M+H-H2O]+ 228.17522 153.4
[M+HCOO]- 290.17616 180.3
[M+CH3COO]- 304.19181 194.1
[M+Na-2H]- 266.15263 161.5
[M]+ 245.17741 159.3
[M]- 245.17851 159.3
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

patents stripe