CID 13351884

93980-80-4

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

CC(=O)OC12CCC(C1)CC2

InChI

InChI=1S/C9H14O2/c1-7(10)11-9-4-2-8(6-9)3-5-9/h8H,2-6H2,1H3

InChIKey

RVIORAABVUOPRE-UHFFFAOYSA-N

Compound name

1-bicyclo[2.2.1]heptanyl acetate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 77
Patents: 154.09938 Da
Monoisotopic Mass: 1.6
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]+	155.106656	136.5
[M+Na]+	177.088598	143.4
[M-H]-	153.092104	139.2
[M+NH4]+	172.133203	164.4
[M+K]+	193.062538	142.4
[M+H-H2O]+	137.096640	132.8
[M+HCOO]-	199.097581	157.3
[M+CH3COO]-	213.113231	174.5
[M+Na-2H]-	175.074046	140.7
[M]+	154.09883142	135.9
[M]-	154.09992858	135.9

Literature stripe

literature stripe

Patent stripe

patents stripe