CID 84611

Brn 3090959

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-/m1/s1
InChIKey
XROGGPRBZBLTOH-WGVDIBCWSA-N
Compound name
(1R,2R,7R,9R)-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]+ 221.189986 152.0
[M+Na]+ 243.171928 159.2
[M-H]- 219.175434 157.6
[M+NH4]+ 238.216533 179.0
[M+K]+ 259.145868 156.0
[M+H-H2O]+ 203.179970 149.0
[M+HCOO]- 265.180911 168.5
[M+CH3COO]- 279.196561 164.3
[M+Na-2H]- 241.157376 153.1
[M]+ 220.18216142 148.3
[M]- 220.18325858 148.3
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

patents stripe