CID 93046

2,10-epoxypinane

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CCC3(C1C2)CO3)C

InChI

InChI=1S/C10H16O/c1-9(2)7-3-4-10(6-11-10)8(9)5-7/h7-8H,3-6H2,1-2H3

InChIKey

OUXAABAEPHHZPC-UHFFFAOYSA-N

Compound name

6,6-dimethylspiro[bicyclo[3.1.1]heptane-2,2'-oxirane]

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 8
References: 1654
Patents: 152.12012 Da
Monoisotopic Mass: 2.1
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]+	153.127396	140.9
[M+Na]+	175.109338	149.2
[M-H]-	151.112844	145.1
[M+NH4]+	170.153943	157.9
[M+K]+	191.083278	151.4
[M+H-H2O]+	135.117380	132.5
[M+HCOO]-	197.118321	152.7
[M+CH3COO]-	211.133971	153.0
[M+Na-2H]-	173.094786	152.5
[M]+	152.11957142	154.7
[M]-	152.12066858	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe