CID 116491595

2-(cyclobutylmethyl)oxirane

Structural Information

Molecular Formula

C₇H₁₂O

SMILES

C1CC(C1)CC2CO2

InChI

InChI=1S/C7H12O/c1-2-6(3-1)4-7-5-8-7/h6-7H,1-5H2

InChIKey

UUOVGVCBKJRGAO-UHFFFAOYSA-N

Compound name

2-(cyclobutylmethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 112.08881 Da
Monoisotopic Mass: 1.9
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	115.1
[M+Na]+	135.07803	122.5
[M-H]-	111.08153	123.3
[M+NH4]+	130.12263	125.8
[M+K]+	151.05197	125.8
[M+H-H2O]+	95.086070	104.7
[M+HCOO]-	157.08701	136.8
[M+CH3COO]-	171.10266	176.1
[M+Na-2H]-	133.06348	123.7
[M]+	112.08826	125.4
[M]-	112.08936	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.