CID 2898262

Smr000106340

Structural Information

Molecular Formula
C20H25NO2
SMILES
CC1CC2=CC=CC=C2N1C(=O)C34CCC(C3(C)C)(C(=O)C4)C
InChI
InChI=1S/C20H25NO2/c1-13-11-14-7-5-6-8-15(14)21(13)17(23)20-10-9-19(4,16(22)12-20)18(20,2)3/h5-8,13H,9-12H2,1-4H3
InChIKey
UCCZEJKEPKONPP-UHFFFAOYSA-N
Compound name
1,7,7-trimethyl-4-(2-methyl-2,3-dihydroindole-1-carbonyl)bicyclo[2.2.1]heptan-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

311.18854 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.19582 176.0
[M+Na]+ 334.17776 185.8
[M-H]- 310.18126 182.6
[M+NH4]+ 329.22236 203.4
[M+K]+ 350.15170 180.4
[M+H-H2O]+ 294.18580 171.5
[M+HCOO]- 356.18674 192.7
[M+CH3COO]- 370.20239 188.0
[M+Na-2H]- 332.16321 175.2
[M]+ 311.18799 177.3
[M]- 311.18909 177.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.