CID 12893798

71735-24-5

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=O)C1(CC2CC1C=C2)CO

InChI

InChI=1S/C10H14O2/c1-7(12)10(6-11)5-8-2-3-9(10)4-8/h2-3,8-9,11H,4-6H2,1H3

InChIKey

SCVHSGMZAPHRIW-UHFFFAOYSA-N

Compound name

1-[2-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]ethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 6
Patents: 166.09938 Da
Monoisotopic Mass: 0.5
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]+	167.106656	138.6
[M+Na]+	189.088598	146.6
[M-H]-	165.092104	140.5
[M+NH4]+	184.133203	165.7
[M+K]+	205.062538	144.2
[M+H-H2O]+	149.096640	135.4
[M+HCOO]-	211.097581	159.1
[M+CH3COO]-	225.113231	176.2
[M+Na-2H]-	187.074046	142.3
[M]+	166.09883142	138.5
[M]-	166.09992858	138.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe