CID 21116030

(1alpha,3abeta,4alpha,8abeta,9s*)-octahydro-4,8,8,9-tetramethyl-1,4-methanoazulen-2(1h)-one

Structural Information

Molecular Formula
C15H24O
SMILES
CC1[C@H]2[C@@H]3[C@@H]([C@]1(CCCC3(C)C)C)CC2=O
InChI
InChI=1S/C15H24O/c1-9-12-11(16)8-10-13(12)14(2,3)6-5-7-15(9,10)4/h9-10,12-13H,5-8H2,1-4H3/t9?,10-,12+,13-,15-/m0/s1
InChIKey
XROGGPRBZBLTOH-PWANUCGVSA-N
Compound name
(1S,2S,7S,9S)-3,3,7,8-tetramethyltricyclo[5.4.0.02,9]undecan-10-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

220.18271 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.18999 145.3
[M+Na]+ 243.17193 152.6
[M+NH4]+ 238.21653 156.9
[M+K]+ 259.14587 148.0
[M-H]- 219.17543 146.4
[M+Na-2H]- 241.15738 148.5
[M]+ 220.18216 146.9
[M]- 220.18326 146.9
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.