CID 13168778

94134-25-5

Structural Information

Molecular Formula

C₁₁H₁₈O₂

SMILES

CC(=O)OC1C2CCC(C2)C1(C)C

InChI

InChI=1S/C11H18O2/c1-7(12)13-10-8-4-5-9(6-8)11(10,2)3/h8-10H,4-6H2,1-3H3

InChIKey

AIFCYJPQMNVEEG-UHFFFAOYSA-N

Compound name

(3,3-dimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 182.13068 Da
Monoisotopic Mass: 2.7
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]+	183.137956	143.4
[M+Na]+	205.119898	151.4
[M-H]-	181.123404	146.5
[M+NH4]+	200.164503	170.9
[M+K]+	221.093838	149.8
[M+H-H2O]+	165.127940	140.4
[M+HCOO]-	227.128881	163.6
[M+CH3COO]-	241.144531	182.7
[M+Na-2H]-	203.105346	145.6
[M]+	182.13013142	144.4
[M]-	182.13122858	144.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe