CID 122164283

[(1r,3r,5s)-bicyclo[3.1.0]hexan-3-yl]methanol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1[C@H]2[C@@H]1CC(C2)CO

InChI

InChI=1S/C7H12O/c8-4-5-1-6-3-7(6)2-5/h5-8H,1-4H2/t5?,6-,7+

InChIKey

UPIIUAPEQOCMGL-DGUCWDHESA-N

Compound name

[(1S,5R)-3-bicyclo[3.1.0]hexanyl]methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.08881 Da
Monoisotopic Mass: 1.1
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]+	113.096086	121.5
[M+Na]+	135.078028	131.3
[M-H]-	111.081534	125.7
[M+NH4]+	130.122633	141.7
[M+K]+	151.051968	128.4
[M+H-H2O]+	95.086070	117.0
[M+HCOO]-	157.087011	143.0
[M+CH3COO]-	171.102661	170.7
[M+Na-2H]-	133.063476	127.6
[M]+	112.08826142	122.4
[M]-	112.08935858	122.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.