CID 101199

Norbornyl acetate

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(=O)OC1CC2CCC1C2

InChI

InChI=1S/C9H14O2/c1-6(10)11-9-5-7-2-3-8(9)4-7/h7-9H,2-5H2,1H3

InChIKey

YXNICIBZSREEPY-UHFFFAOYSA-N

Compound name

2-bicyclo[2.2.1]heptanyl acetate

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 97
Patents: 154.09938 Da
Monoisotopic Mass: 1.9
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]+	155.10666	135.8
[M+Na]+	177.08860	142.6
[M-H]-	153.09210	138.5
[M+NH4]+	172.13320	162.0
[M+K]+	193.06254	141.7
[M+H-H2O]+	137.09664	131.8
[M+HCOO]-	199.09758	156.7
[M+CH3COO]-	213.11323	176.0
[M+Na-2H]-	175.07405	138.3
[M]+	154.09883	135.3
[M]-	154.09993	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe