CID 9837566

177080-67-0

Structural Information

Molecular Formula
C15H22O2
SMILES
CC(=C)C(=O)OC1(C2CC3CC(C2)CC1C3)C
InChI
InChI=1S/C15H22O2/c1-9(2)14(16)17-15(3)12-5-10-4-11(7-12)8-13(15)6-10/h10-13H,1,4-8H2,2-3H3
InChIKey
FDYDISGSYGFRJM-UHFFFAOYSA-N
Compound name
(2-methyl-2-adamantyl) 2-methylprop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

7072
Patents

234.16199 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.16927 156.0
[M+Na]+ 257.15121 164.4
[M+NH4]+ 252.19581 168.0
[M+K]+ 273.12515 155.7
[M-H]- 233.15471 153.3
[M+Na-2H]- 255.13666 151.9
[M]+ 234.16144 156.4
[M]- 234.16254 156.4
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

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