CID 14414154

120749-18-0

Structural Information

Molecular Formula

C₁₀H₁₄O₂

SMILES

CC(=C)C12CCC3(C(C1O2)O3)C

InChI

InChI=1S/C10H14O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h7-8H,1,4-5H2,2-3H3

InChIKey

CJWLGOWMMDDXLV-UHFFFAOYSA-N

Compound name

4-methyl-7-prop-1-en-2-yl-3,8-dioxatricyclo[5.1.0.02,4]octane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 0
Patents: 166.09938 Da
Monoisotopic Mass: 1.5
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]+	167.106656	150.6
[M+Na]+	189.088598	159.4
[M-H]-	165.092104	158.0
[M+NH4]+	184.133203	162.5
[M+K]+	205.062538	162.5
[M+H-H2O]+	149.096640	146.3
[M+HCOO]-	211.097581	163.1
[M+CH3COO]-	225.113231	161.4
[M+Na-2H]-	187.074046	157.5
[M]+	166.09883142	156.8
[M]-	166.09992858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.