CID 524266

Bicyclo[2.2.1]heptan-1-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC2(CCC1C2)O

InChI

InChI=1S/C7H12O/c8-7-3-1-6(5-7)2-4-7/h6,8H,1-5H2

InChIKey

NIZFPIBTGJOVRT-UHFFFAOYSA-N

Compound name

bicyclo[2.2.1]heptan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 2406
Patents: 112.08881 Da
Monoisotopic Mass: 1.0
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]+	113.096086	124.9
[M+Na]+	135.078028	132.3
[M-H]-	111.081534	126.4
[M+NH4]+	130.122633	153.8
[M+K]+	151.051968	130.5
[M+H-H2O]+	95.086070	121.6
[M+HCOO]-	157.087011	145.5
[M+CH3COO]-	171.102661	164.6
[M+Na-2H]-	133.063476	130.8
[M]+	112.08826142	121.7
[M]-	112.08935858	121.7

Literature stripe

literature stripe

Patent stripe

patents stripe