CID 107217

1,3,3-trimethyl-2-norbornanyl acetate

Structural Information

Molecular Formula

C₁₂H₂₀O₂

SMILES

CC(=O)OC1C(C2CCC1(C2)C)(C)C

InChI

InChI=1S/C12H20O2/c1-8(13)14-10-11(2,3)9-5-6-12(10,4)7-9/h9-10H,5-7H2,1-4H3

InChIKey

JUWUWIGZUVEFQB-UHFFFAOYSA-N

Compound name

(1,3,3-trimethyl-2-bicyclo[2.2.1]heptanyl) acetate

Related CIDs

2D Structure

compound 2d structure

6
Annotation Hits: 15
References: 3697
Patents: 196.14633 Da
Monoisotopic Mass: 3.1
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]+	197.153606	146.3
[M+Na]+	219.135548	154.8
[M-H]-	195.139054	149.6
[M+NH4]+	214.180153	175.2
[M+K]+	235.109488	152.9
[M+H-H2O]+	179.143590	143.9
[M+HCOO]-	241.144531	166.1
[M+CH3COO]-	255.160181	185.5
[M+Na-2H]-	217.120996	149.3
[M]+	196.14578142	148.0
[M]-	196.14687858	148.0

Literature stripe

literature stripe

Patent stripe

patents stripe