CID 390553

Nsc688039

Structural Information

Molecular Formula

C₁₀H₁₂O

SMILES

CC12C3C4C1C5C2C3C45CO

InChI

InChI=1S/C10H12O/c1-9-3-6-4(9)8-5(9)7(3)10(6,8)2-11/h3-8,11H,2H2,1H3

InChIKey

BAEFCXUMOHTMRJ-UHFFFAOYSA-N

Compound name

(4-methylcuban-1-yl)methanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 148.08882 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]+	149.09610	202.0
[M+Na]+	171.07804	203.3
[M-H]-	147.08154	206.0
[M+NH4]+	166.12264	198.9
[M+K]+	187.05198	206.8
[M+H-H2O]+	131.08608	191.3
[M+HCOO]-	193.08702	204.0
[M+CH3COO]-	207.10267	258.3
[M+Na-2H]-	169.06349	197.6
[M]+	148.08827	221.8
[M]-	148.08937	221.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.