CID 19830424

4-methyl-8-methyleneadamantan-2-yl acetate

Structural Information

Molecular Formula
C14H20O2
SMILES
CC1C2CC3CC1C(C(C2)C3=C)OC(=O)C
InChI
InChI=1S/C14H20O2/c1-7-10-4-11-6-12(7)14(16-9(3)15)13(5-10)8(11)2/h8,10-14H,1,4-6H2,2-3H3
InChIKey
HYZYPKCUAUVUJO-UHFFFAOYSA-N
Compound name
(4-methyl-8-methylidene-2-adamantyl) acetate
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

44
Patents

220.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.15361 153.2
[M+Na]+ 243.13555 156.2
[M-H]- 219.13905 148.9
[M+NH4]+ 238.18015 177.0
[M+K]+ 259.10949 153.3
[M+H-H2O]+ 203.14359 148.2
[M+HCOO]- 265.14453 159.4
[M+CH3COO]- 279.16018 162.1
[M+Na-2H]- 241.12100 159.7
[M]+ 220.14578 154.5
[M]- 220.14688 154.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe