CID 85735

Bicyclo[2.2.1]heptane-2,3-diol

Structural Information

Molecular Formula

C₇H₁₂O₂

SMILES

C1CC2CC1C(C2O)O

InChI

InChI=1S/C7H12O2/c8-6-4-1-2-5(3-4)7(6)9/h4-9H,1-3H2

InChIKey

HNMVZUWXQLASRL-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]heptane-2,3-diol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 678
Patents: 128.08372 Da
Monoisotopic Mass: 0.1
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]+	129.09100	124.6
[M+Na]+	151.07294	132.7
[M+NH4]+	146.11754	133.9
[M+K]+	167.04688	131.7
[M-H]-	127.07644	124.0
[M+Na-2H]-	149.05839	125.3
[M]+	128.08317	125.2
[M]-	128.08427	125.2

Literature stripe

literature stripe

Patent stripe

patents stripe