CID 155822523

2-{spiro[2.4]heptan-4-yl}ethan-1-ol

Structural Information

Molecular Formula

C₉H₁₆O

SMILES

C1CC(C2(C1)CC2)CCO

InChI

InChI=1S/C9H16O/c10-7-3-8-2-1-4-9(8)5-6-9/h8,10H,1-7H2

InChIKey

ICFFQCJHXDZWMT-UHFFFAOYSA-N

Compound name

2-spiro[2.4]heptan-7-ylethanol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.12012 Da
Monoisotopic Mass: 2.5
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]+	141.127396	131.0
[M+Na]+	163.109338	139.3
[M-H]-	139.112844	136.0
[M+NH4]+	158.153943	151.0
[M+K]+	179.083278	137.1
[M+H-H2O]+	123.117380	126.5
[M+HCOO]-	185.118321	151.8
[M+CH3COO]-	199.133971	173.8
[M+Na-2H]-	161.094786	136.6
[M]+	140.11957142	130.6
[M]-	140.12066858	130.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe