CID 351031

Nsc518044

Structural Information

Molecular Formula

C₁₀H₁₆O₂

SMILES

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

InChI

InChI=1S/C10H16O2/c1-6(2)10-5-4-9(3)7(11-9)8(10)12-10/h6-8H,4-5H2,1-3H3

InChIKey

LEZWCCRTFNBOBU-UHFFFAOYSA-N

Compound name

4-methyl-7-propan-2-yl-3,8-dioxatricyclo[5.1.0.02,4]octane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 35
Patents: 168.11504 Da
Monoisotopic Mass: 1.6
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]+	169.122316	151.1
[M+Na]+	191.104258	159.6
[M-H]-	167.107764	158.4
[M+NH4]+	186.148863	163.0
[M+K]+	207.078198	163.3
[M+H-H2O]+	151.112300	146.7
[M+HCOO]-	213.113241	163.4
[M+CH3COO]-	227.128891	161.9
[M+Na-2H]-	189.089706	158.1
[M]+	168.11449142	157.9
[M]-	168.11558858	157.9

Literature stripe

literature stripe

Patent stripe

patents stripe