CID 22228790

3-hydroxy-1-adamantyl acrylate

Structural Information

Molecular Formula
C13H18O3
SMILES
C=CC(=O)OC12CC3CC(C1)CC(C3)(C2)O
InChI
InChI=1S/C13H18O3/c1-2-11(14)16-13-6-9-3-10(7-13)5-12(15,4-9)8-13/h2,9-10,15H,1,3-8H2
InChIKey
DKDKCSYKDZNMMA-UHFFFAOYSA-N
Compound name
(3-hydroxy-1-adamantyl) prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1939
Patents

222.1256 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 223.13288 154.0
[M+Na]+ 245.11482 156.9
[M-H]- 221.11832 148.1
[M+NH4]+ 240.15942 180.1
[M+K]+ 261.08876 153.5
[M+H-H2O]+ 205.12286 148.3
[M+HCOO]- 267.12380 159.2
[M+CH3COO]- 281.13945 162.3
[M+Na-2H]- 243.10027 164.4
[M]+ 222.12505 154.6
[M]- 222.12615 154.6
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