CID 26447

(-)-menthone

Structural Information

Molecular Formula
C10H18O
SMILES
C[C@@H]1CC[C@H](C(=O)C1)C(C)C
InChI
InChI=1S/C10H18O/c1-7(2)9-5-4-8(3)6-10(9)11/h7-9H,4-6H2,1-3H3/t8-,9+/m1/s1
InChIKey
NFLGAXVYCFJBMK-BDAKNGLRSA-N
Compound name
(2S,5R)-5-methyl-2-propan-2-ylcyclohexan-1-one
Related CIDs

2D Structure

compound 2d structure
9
Annotation Hits

288
References

38485
Patents

154.13577 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.14305 134.5
[M+Na]+ 177.12499 140.3
[M-H]- 153.12849 137.7
[M+NH4]+ 172.16959 155.9
[M+K]+ 193.09893 139.3
[M+H-H2O]+ 137.13303 129.5
[M+HCOO]- 199.13397 153.8
[M+CH3COO]- 213.14962 179.8
[M+Na-2H]- 175.11044 136.7
[M]+ 154.13522 131.3
[M]- 154.13632 131.3
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