CID 73799602

22287-32-7

Structural Information

Molecular Formula

C₆H₁₀O

SMILES

C1C2CC1(C2)CO

InChI

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

InChIKey

PTCSNXOIOPVZMT-UHFFFAOYSA-N

Compound name

1-bicyclo[1.1.1]pentanylmethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 118
Patents: 98.073166 Da
Monoisotopic Mass: 0.5
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	131.3
[M+Na]+	121.06238	135.7
[M-H]-	97.065890	133.9
[M+NH4]+	116.10699	138.3
[M+K]+	137.03632	141.6
[M+H-H2O]+	81.070426	118.8
[M+HCOO]-	143.07137	144.7
[M+CH3COO]-	157.08702	197.1
[M+Na-2H]-	119.04783	139.4
[M]+	98.072617	155.2
[M]-	98.073715	155.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe