CID 42608197

Lmpr0103790001

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

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 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

No patent data available for this compound.