CID 11390128

Adamantan-1-yl acrylate (stabilized with bht)

Structural Information

Molecular Formula
C13H18O2
SMILES
C=CC(=O)OC12CC3CC(C1)CC(C3)C2
InChI
InChI=1S/C13H18O2/c1-2-12(14)15-13-6-9-3-10(7-13)5-11(4-9)8-13/h2,9-11H,1,3-8H2
InChIKey
PHPRWKJDGHSJMI-UHFFFAOYSA-N
Compound name
1-adamantyl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5539
Patents

206.13068 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 207.137956 148.8
[M+Na]+ 229.119898 150.9
[M-H]- 205.123404 144.1
[M+NH4]+ 224.164503 174.4
[M+K]+ 245.093838 147.8
[M+H-H2O]+ 189.127940 142.9
[M+HCOO]- 251.128881 155.5
[M+CH3COO]- 265.144531 157.6
[M+Na-2H]- 227.105346 158.6
[M]+ 206.13013142 149.1
[M]- 206.13122858 149.1
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