CID 90971

7h-2,4a-methanonaphthalen-7-one, 1,2,3,4,5,6-hexahydro-1,1,5,5-tetramethyl-

Structural Information

Molecular Formula
C15H22O
SMILES
CC1(CC(=O)C=C2C13CCC(C3)C2(C)C)C
InChI
InChI=1S/C15H22O/c1-13(2)9-11(16)7-12-14(3,4)10-5-6-15(12,13)8-10/h7,10H,5-6,8-9H2,1-4H3
InChIKey
LGSKOQUJWNADCQ-UHFFFAOYSA-N
Compound name
2,2,7,7-tetramethyltricyclo[6.2.1.01,6]undec-5-en-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

218.16707 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.17435 150.4
[M+Na]+ 241.15629 160.1
[M-H]- 217.15979 155.5
[M+NH4]+ 236.20089 181.2
[M+K]+ 257.13023 155.7
[M+H-H2O]+ 201.16433 147.1
[M+HCOO]- 263.16527 168.7
[M+CH3COO]- 277.18092 164.1
[M+Na-2H]- 239.14174 154.3
[M]+ 218.16652 150.5
[M]- 218.16762 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