CID 96066

Bicyclo[2.2.1]hept-5-en-2-ol

Structural Information

Molecular Formula

C₇H₁₀O

SMILES

C1C2CC(C1C=C2)O

InChI

InChI=1S/C7H10O/c8-7-4-5-1-2-6(7)3-5/h1-2,5-8H,3-4H2

InChIKey

MKOSBHNWXFSHSW-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]hept-5-en-2-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 4437
Patents: 110.073166 Da
Monoisotopic Mass: 0.8
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]+	111.08044	121.9
[M+Na]+	133.06238	130.3
[M-H]-	109.06589	123.9
[M+NH4]+	128.10699	149.4
[M+K]+	149.03632	128.4
[M+H-H2O]+	93.070426	118.5
[M+HCOO]-	155.07137	144.1
[M+CH3COO]-	169.08702	165.7
[M+Na-2H]-	131.04783	127.3
[M]+	110.07262	120.4
[M]-	110.07371	120.4

Literature stripe

literature stripe

Patent stripe

patents stripe