CID 600322

2,2,7,7-tetramethyltricyclo[6.2.1.0(1,6)]undec-4-en-3-one

Structural Information

Molecular Formula
C15H22O
SMILES
CC1(C2CCC3(C2)C1C=CC(=O)C3(C)C)C
InChI
InChI=1S/C15H22O/c1-13(2)10-7-8-15(9-10)11(13)5-6-12(16)14(15,3)4/h5-6,10-11H,7-9H2,1-4H3
InChIKey
RKGKLJHVQKIFJZ-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-4-en-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

14
Patents

218.16707 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 150.4
[M+Na]+ 241.156288 160.1
[M-H]- 217.159794 155.5
[M+NH4]+ 236.200893 181.2
[M+K]+ 257.130228 155.7
[M+H-H2O]+ 201.164330 147.1
[M+HCOO]- 263.165271 168.7
[M+CH3COO]- 277.180921 164.1
[M+Na-2H]- 239.141736 154.3
[M]+ 218.16652142 150.5
[M]- 218.16761858 150.5
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

patents stripe