CID 57771361

Spiro[3.4]octan-6-ol

Structural Information

Molecular Formula

C₈H₁₄O

SMILES

C1CC2(C1)CCC(C2)O

InChI

InChI=1S/C8H14O/c9-7-2-5-8(6-7)3-1-4-8/h7,9H,1-6H2

InChIKey

HWJDSQNWVRULIH-UHFFFAOYSA-N

Compound name

spiro[3.4]octan-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 126.10446 Da
Monoisotopic Mass: 2.0
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]+	127.111736	123.3
[M+Na]+	149.093678	128.6
[M-H]-	125.097184	127.7
[M+NH4]+	144.138283	142.3
[M+K]+	165.067618	129.7
[M+H-H2O]+	109.101720	115.1
[M+HCOO]-	171.102661	143.2
[M+CH3COO]-	185.118311	170.4
[M+Na-2H]-	147.079126	128.9
[M]+	126.10391142	127.3
[M]-	126.10500858	127.3

Literature stripe

literature stripe

Patent stripe

patents stripe