CID 12724623

Cis-bicyclo[3.1.0]hexan-3-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

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

InChI

InChI=1S/C6H10O/c7-6-2-4-1-5(4)3-6/h4-7H,1-3H2/t4-,5+,6?

InChIKey

YKXMZSYOSBDLMM-XEAPYIEGSA-N

Compound name

(1S,5R)-bicyclo[3.1.0]hexan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 276
Patents: 98.073166 Da
Monoisotopic Mass: 0.9
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]+	99.080442	117.2
[M+Na]+	121.06238	127.4
[M-H]-	97.065890	121.6
[M+NH4]+	116.10699	137.9
[M+K]+	137.03632	124.7
[M+H-H2O]+	81.070426	112.8
[M+HCOO]-	143.07137	139.0
[M+CH3COO]-	157.08702	167.8
[M+Na-2H]-	119.04783	123.8
[M]+	98.072617	117.7
[M]-	98.073715	117.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe