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
2
Annotation Hits

0
References

48
Patents

220.14633 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.153606 153.2
[M+Na]+ 243.135548 156.2
[M-H]- 219.139054 148.9
[M+NH4]+ 238.180153 177.0
[M+K]+ 259.109488 153.3
[M+H-H2O]+ 203.143590 148.2
[M+HCOO]- 265.144531 159.4
[M+CH3COO]- 279.160181 162.1
[M+Na-2H]- 241.120996 159.7
[M]+ 220.14578142 154.5
[M]- 220.14687858 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