CID 12453880

Bicyclo[4.1.0]heptan-7-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CCC2C(C1)C2O

InChI

InChI=1S/C7H12O/c8-7-5-3-1-2-4-6(5)7/h5-8H,1-4H2

InChIKey

QMIUADBGGPTBNU-UHFFFAOYSA-N

Compound name

bicyclo[4.1.0]heptan-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 7
Patents: 112.08881 Da
Monoisotopic Mass: 1.5
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]+	113.096086	121.8
[M+Na]+	135.078028	130.6
[M-H]-	111.081534	125.8
[M+NH4]+	130.122633	140.2
[M+K]+	151.051968	128.2
[M+H-H2O]+	95.086070	116.8
[M+HCOO]-	157.087011	141.5
[M+CH3COO]-	171.102661	170.9
[M+Na-2H]-	133.063476	129.1
[M]+	112.08826142	120.7
[M]-	112.08935858	120.7

Literature stripe

literature stripe

Patent stripe

patents stripe