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

153
Patents

304.16745 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.174726 176.5
[M+Na]+ 327.156668 176.8
[M-H]- 303.160174 170.5
[M+NH4]+ 322.201273 199.3
[M+K]+ 343.130608 174.3
[M+H-H2O]+ 287.164710 170.7
[M+HCOO]- 349.165651 178.5
[M+CH3COO]- 363.181301 212.0
[M+Na-2H]- 325.142116 181.7
[M]+ 304.16690142 178.3
[M]- 304.16799858 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