CID 11392541

3-[(2-methylprop-2-enoyl)oxy]adamantan-1-yl 2-methylprop-2-enoate

Structural Information

Molecular Formula
C18H24O4
SMILES
CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)OC(=O)C(=C)C
InChI
InChI=1S/C18H24O4/c1-11(2)15(19)21-17-6-13-5-14(7-17)9-18(8-13,10-17)22-16(20)12(3)4/h13-14H,1,3,5-10H2,2,4H3
InChIKey
LWZDPKCUTBVCGX-UHFFFAOYSA-N
Compound name
[3-(2-methylprop-2-enoyloxy)-1-adamantyl] 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

216
Patents

304.16745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.17473 176.5
[M+Na]+ 327.15667 176.8
[M-H]- 303.16017 170.5
[M+NH4]+ 322.20127 199.3
[M+K]+ 343.13061 174.3
[M+H-H2O]+ 287.16471 170.7
[M+HCOO]- 349.16565 178.5
[M+CH3COO]- 363.18130 212.0
[M+Na-2H]- 325.14212 181.7
[M]+ 304.16690 178.3
[M]- 304.16800 178.3
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