CID 6454379

62318-94-9

Structural Information

Molecular Formula

C₁₀H₁₆O

SMILES

CC1(C2CCC(C2)C13CO3)C

InChI

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

InChIKey

ISNKNHAUYOWDHN-UHFFFAOYSA-N

Compound name

2,2-dimethylspiro[bicyclo[2.2.1]heptane-3,2'-oxirane]

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 47
Patents: 152.12012 Da
Monoisotopic Mass: 2.2
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	133.8
[M+Na]+	175.109338	144.6
[M-H]-	151.112844	140.7
[M+NH4]+	170.153943	158.0
[M+K]+	191.083278	143.6
[M+H-H2O]+	135.117380	131.0
[M+HCOO]-	197.118321	152.6
[M+CH3COO]-	211.133971	148.3
[M+Na-2H]-	173.094786	140.7
[M]+	152.11957142	136.9
[M]-	152.12066858	136.9

Literature stripe

literature stripe

Patent stripe

patents stripe