CID 11856523

3-hydroxy-1-adamantyl methacrylate

Structural Information

Molecular Formula
C14H20O3
SMILES
CC(=C)C(=O)OC12CC3CC(C1)CC(C3)(C2)O
InChI
InChI=1S/C14H20O3/c1-9(2)12(15)17-14-6-10-3-11(7-14)5-13(16,4-10)8-14/h10-11,16H,1,3-8H2,2H3
InChIKey
OOIBFPKQHULHSQ-UHFFFAOYSA-N
Compound name
(3-hydroxy-1-adamantyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

11499
Patents

236.14125 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.148526 159.3
[M+Na]+ 259.130468 161.5
[M-H]- 235.133974 153.2
[M+NH4]+ 254.175073 184.8
[M+K]+ 275.104408 158.3
[M+H-H2O]+ 219.138510 153.8
[M+HCOO]- 281.139451 163.1
[M+CH3COO]- 295.155101 167.0
[M+Na-2H]- 257.115916 168.1
[M]+ 236.14070142 159.6
[M]- 236.14179858 159.6
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