CID 3021233

3-methyl-2-((1-pyrrolidinyl)methyl)-3,4,5,6-tetrahydro-1(2h)-pentalenone hydrochloride

Structural Information

Molecular Formula
C14H21NO
SMILES
CC1C(C(=O)C2=C1CCC2)CN3CCCC3
InChI
InChI=1S/C14H21NO/c1-10-11-5-4-6-12(11)14(16)13(10)9-15-7-2-3-8-15/h10,13H,2-9H2,1H3
InChIKey
CMCPMBYAKSKBBI-UHFFFAOYSA-N
Compound name
3-methyl-2-(pyrrolidin-1-ylmethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.16231 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.16959 153.5
[M+Na]+ 242.15153 162.1
[M+NH4]+ 237.19613 162.6
[M+K]+ 258.12547 161.0
[M-H]- 218.15503 155.9
[M+Na-2H]- 240.13698 155.8
[M]+ 219.16176 155.0
[M]- 219.16286 155.0
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.