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]+ 248.16451 165.0
[M+Na]+ 270.14645 171.6
[M-H]- 246.14995 166.2
[M+NH4]+ 265.19105 183.0
[M+K]+ 286.12039 170.7
[M+H-H2O]+ 230.15449 156.0
[M+HCOO]- 292.15543 176.6
[M+CH3COO]- 306.17108 203.5
[M+Na-2H]- 268.13190 168.7
[M]+ 247.15668 177.1
[M]- 247.15778 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