CID 97724

5-norbornene-2,3-dimethanol

Structural Information

Molecular Formula

C₉H₁₄O₂

SMILES

C1C2C=CC1C(C2CO)CO

InChI

InChI=1S/C9H14O2/c10-4-8-6-1-2-7(3-6)9(8)5-11/h1-2,6-11H,3-5H2

InChIKey

IGHHPVIMEQGKNE-UHFFFAOYSA-N

Compound name

[3-(hydroxymethyl)-2-bicyclo[2.2.1]hept-5-enyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3176
Patents: 154.09938 Da
Monoisotopic Mass: 0.4
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	134.3
[M+Na]+	177.08860	142.2
[M-H]-	153.09210	134.9
[M+NH4]+	172.13320	159.6
[M+K]+	193.06254	139.4
[M+H-H2O]+	137.09664	131.0
[M+HCOO]-	199.09758	154.4
[M+CH3COO]-	213.11323	172.3
[M+Na-2H]-	175.07405	137.6
[M]+	154.09883	133.5
[M]-	154.09993	133.5

Literature stripe

literature stripe

Patent stripe

patents stripe