CID 59874134

3-methylbicyclo[1.1.1]pentan-1-ol

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

CC12CC(C1)(C2)O

InChI

InChI=1S/C6H10O/c1-5-2-6(7,3-5)4-5/h7H,2-4H2,1H3

InChIKey

TUTFLTNKHLWQIP-UHFFFAOYSA-N

Compound name

3-methylbicyclo[1.1.1]pentan-1-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 98.073166 Da
Monoisotopic Mass: 0.7
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	136.7
[M+Na]+	121.06238	141.9
[M-H]-	97.065890	139.8
[M+NH4]+	116.10699	145.3
[M+K]+	137.03632	147.2
[M+H-H2O]+	81.070426	125.5
[M+HCOO]-	143.07137	150.0
[M+CH3COO]-	157.08702	196.9
[M+Na-2H]-	119.04783	145.0
[M]+	98.072617	160.8
[M]-	98.073715	160.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe