CID 317457

Spiro[2.4]heptan-4-ol

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC(C2(C1)CC2)O

InChI

InChI=1S/C7H12O/c8-6-2-1-3-7(6)4-5-7/h6,8H,1-5H2

InChIKey

KRVSXRVGROMOGZ-UHFFFAOYSA-N

Compound name

spiro[2.4]heptan-7-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 20
Patents: 112.08881 Da
Monoisotopic Mass: 1.1
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]+	113.09609	122.5
[M+Na]+	135.07803	131.7
[M-H]-	111.08153	128.0
[M+NH4]+	130.12263	143.6
[M+K]+	151.05197	130.0
[M+H-H2O]+	95.086070	118.4
[M+HCOO]-	157.08701	144.0
[M+CH3COO]-	171.10266	168.1
[M+Na-2H]-	133.06348	129.2
[M]+	112.08826	121.5
[M]-	112.08936	121.5

Literature stripe

literature stripe

Patent stripe

patents stripe