CID 44078

3,4-dihydro-2-(1-pyrrolidinylmethyl)-1(2h)-naphthalenone hydrochloride

Structural Information

Molecular Formula
C15H19NO
SMILES
C1CCN(C1)CC2CCC3=CC=CC=C3C2=O
InChI
InChI=1S/C15H19NO/c17-15-13(11-16-9-3-4-10-16)8-7-12-5-1-2-6-14(12)15/h1-2,5-6,13H,3-4,7-11H2
InChIKey
AMRKYOLXHJYOMR-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

229.14667 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 230.15395 154.6
[M+Na]+ 252.13589 166.8
[M+NH4]+ 247.18049 164.3
[M+K]+ 268.10983 160.4
[M-H]- 228.13939 158.7
[M+Na-2H]- 250.12134 160.5
[M]+ 229.14612 157.4
[M]- 229.14722 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

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No literature data available for this compound.

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No patent data available for this compound.