CID 3021235

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

Structural Information

Molecular Formula
C14H21NO2
SMILES
CC1C(C(=O)C2=C1CCC2)CN3CCOCC3
InChI
InChI=1S/C14H21NO2/c1-10-11-3-2-4-12(11)14(16)13(10)9-15-5-7-17-8-6-15/h10,13H,2-9H2,1H3
InChIKey
LTXKYXHNNUQQIF-UHFFFAOYSA-N
Compound name
3-methyl-2-(morpholin-4-ylmethyl)-3,4,5,6-tetrahydro-2H-pentalen-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

235.15723 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.16451 155.6
[M+Na]+ 258.14645 165.2
[M+NH4]+ 253.19105 164.3
[M+K]+ 274.12039 162.9
[M-H]- 234.14995 159.4
[M+Na-2H]- 256.13190 157.8
[M]+ 235.15668 157.8
[M]- 235.15778 157.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.