CID 68936631

53389-10-9

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1CC12CC2CO

InChI

InChI=1S/C6H10O/c7-4-5-3-6(5)1-2-6/h5,7H,1-4H2

InChIKey

RFCMGVLNKDQGEJ-UHFFFAOYSA-N

Compound name

spiro[2.2]pentan-2-ylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 70
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	132.2
[M+Na]+	121.06238	140.8
[M-H]-	97.065890	138.1
[M+NH4]+	116.10699	145.1
[M+K]+	137.03632	140.7
[M+H-H2O]+	81.070426	128.1
[M+HCOO]-	143.07137	151.4
[M+CH3COO]-	157.08702	179.2
[M+Na-2H]-	119.04783	138.5
[M]+	98.072617	135.3
[M]-	98.073715	135.3

Literature stripe

literature stripe

Patent stripe

patents stripe