CID 595401

Dlqlsdbjzvqcle-uhfffaoysa-n

Structural Information

Molecular Formula
C15H22O
SMILES
CC1=CC2(CCC(=O)C3(C2C1(CC3)C)C)C
InChI
InChI=1S/C15H22O/c1-10-9-13(2)6-5-11(16)15(4)8-7-14(10,3)12(13)15/h9,12H,5-8H2,1-4H3
InChIKey
DLQLSDBJZVQCLE-UHFFFAOYSA-N
Compound name
1,3,4,7-tetramethyltricyclo[5.3.1.04,11]undec-2-en-8-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.1
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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.