CID 3021243

2-(1-pyrrolidinylmethyl)-4,5,6,7-tetrahydro-1-indanone hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
C1CCC2=C(C1)CC(C2=O)CN3CCCC3
InChI
InChI=1S/C14H21NO/c16-14-12(10-15-7-3-4-8-15)9-11-5-1-2-6-13(11)14/h12H,1-10H2
InChIKey
QRLHASFPSNOXFD-UHFFFAOYSA-N
Compound name
2-(pyrrolidin-1-ylmethyl)-2,3,4,5,6,7-hexahydroinden-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.7
[M+Na]+ 242.15153 163.1
[M+NH4]+ 237.19613 163.2
[M+K]+ 258.12547 159.6
[M-H]- 218.15503 156.7
[M+Na-2H]- 240.13698 157.1
[M]+ 219.16176 155.6
[M]- 219.16286 155.6
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.

Patent stripe

No patent data available for this compound.