CID 120106

28965-88-0

Structural Information

Molecular Formula

C₁₂H₂₄O₂

SMILES

CC(C)CCCCCCOCC1CO1

InChI

InChI=1S/C12H24O2/c1-11(2)7-5-3-4-6-8-13-9-12-10-14-12/h11-12H,3-10H2,1-2H3

InChIKey

JSZKLRMSOMDYEI-UHFFFAOYSA-N

Compound name

2-(7-methyloctoxymethyl)oxirane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 152
Patents: 200.17763 Da
Monoisotopic Mass: 3.4
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]+	201.184906	150.1
[M+Na]+	223.166848	156.7
[M-H]-	199.170354	154.6
[M+NH4]+	218.211453	163.6
[M+K]+	239.140788	156.1
[M+H-H2O]+	183.174890	143.2
[M+HCOO]-	245.175831	170.9
[M+CH3COO]-	259.191481	191.3
[M+Na-2H]-	221.152296	154.5
[M]+	200.17708142	157.6
[M]-	200.17817858	157.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe