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	132.4
[M+Na]+	121.06238	130.1
[M+NH4]+	116.10699	133.2
[M+K]+	137.03632	128.0
[M-H]-	97.065890	125.7
[M+Na-2H]-	119.04783	130.0
[M]+	98.072617	127.7
[M]-	98.073715	127.7

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe