CID 92292

Cashmeran

Structural Information

Molecular Formula
C14H22O
SMILES
CC1C(C2=C(C1(C)C)C(=O)CCC2)(C)C
InChI
InChI=1S/C14H22O/c1-9-13(2,3)10-7-6-8-11(15)12(10)14(9,4)5/h9H,6-8H2,1-5H3
InChIKey
MIZGSAALSYARKU-UHFFFAOYSA-N
Compound name
1,1,2,3,3-pentamethyl-2,5,6,7-tetrahydroinden-4-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

15
References

6521
Patents

206.16707 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.17435 144.6
[M+Na]+ 229.15629 154.2
[M-H]- 205.15979 149.7
[M+NH4]+ 224.20089 171.5
[M+K]+ 245.13023 151.1
[M+H-H2O]+ 189.16433 141.3
[M+HCOO]- 251.16527 164.2
[M+CH3COO]- 265.18092 189.9
[M+Na-2H]- 227.14174 147.9
[M]+ 206.16652 144.4
[M]- 206.16762 144.4
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