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: 6133
Patents: 234.16199 Da
Monoisotopic Mass: 3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	235.169266	159.1
[M+Na]+	257.151208	160.8
[M-H]-	233.154714	154.2
[M+NH4]+	252.195813	183.7
[M+K]+	273.125148	157.9
[M+H-H2O]+	217.159250	153.5
[M+HCOO]-	279.160191	163.9
[M+CH3COO]-	293.175841	167.1
[M+Na-2H]-	255.136656	166.0
[M]+	234.16144142	159.7
[M]-	234.16253858	159.7

Literature stripe

literature stripe

Patent stripe

patents stripe