CID 512823

1-[(6,6-dimethylnorpinan-2-yl)methyl]-3-methyl-pyrrole-2,5-dione

Structural Information

Molecular Formula
C15H21NO2
SMILES
CC1=CC(=O)N(C1=O)CC2CCC3CC2C3(C)C
InChI
InChI=1S/C15H21NO2/c1-9-6-13(17)16(14(9)18)8-10-4-5-11-7-12(10)15(11,2)3/h6,10-12H,4-5,7-8H2,1-3H3
InChIKey
JVCXYSKIJMHFLA-UHFFFAOYSA-N
Compound name
1-[(6,6-dimethyl-2-bicyclo[3.1.1]heptanyl)methyl]-3-methylpyrrole-2,5-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

247.15723 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.164506 165.0
[M+Na]+ 270.146448 171.6
[M-H]- 246.149954 166.2
[M+NH4]+ 265.191053 183.0
[M+K]+ 286.120388 170.7
[M+H-H2O]+ 230.154490 156.0
[M+HCOO]- 292.155431 176.6
[M+CH3COO]- 306.171081 203.5
[M+Na-2H]- 268.131896 168.7
[M]+ 247.15668142 177.1
[M]- 247.15777858 177.1
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

patents stripe