CID 42608197

Schembl28759872

Structural Information

Molecular Formula
C15H24O
SMILES
C[C@@H]1CC[C@@H]2[C@@H]3C1(CC2(C)C)[C@@H](C(=O)C3)C
InChI
InChI=1S/C15H24O/c1-9-5-6-11-12-7-13(16)10(2)15(9,12)8-14(11,3)4/h9-12H,5-8H2,1-4H3/t9-,10-,11-,12-,15?/m1/s1
InChIKey
KHINYKJYBNWSSP-XPWNBWMWSA-N
Compound name
(2S,5R,6R,9R)-2,9,11,11-tetramethyltricyclo[4.3.2.01,5]undecan-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
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 152.0
[M+Na]+ 243.17193 160.2
[M-H]- 219.17543 157.6
[M+NH4]+ 238.21653 180.3
[M+K]+ 259.14587 156.2
[M+H-H2O]+ 203.17997 148.4
[M+HCOO]- 265.18091 169.5
[M+CH3COO]- 279.19656 192.6
[M+Na-2H]- 241.15738 152.5
[M]+ 220.18216 149.7
[M]- 220.18326 149.7
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