CID 86410

Dtxsid40888960

Structural Information

Molecular Formula

C₁₂H₂₂O₂

SMILES

C[C@@H](CCC=C(C)C)CC1OCCO1

InChI

InChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-12H,4,6-9H2,1-3H3/t11-/m0/s1

InChIKey

KCHXLUDCEMDEFL-NSHDSACASA-N

Compound name

2-[(2S)-2,6-dimethylhept-5-enyl]-1,3-dioxolane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 9
Patents: 198.16199 Da
Monoisotopic Mass: 3.5
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]+	199.169266	151.8
[M+Na]+	221.151208	155.8
[M-H]-	197.154714	155.4
[M+NH4]+	216.195813	170.0
[M+K]+	237.125148	156.7
[M+H-H2O]+	181.159250	146.4
[M+HCOO]-	243.160191	169.9
[M+CH3COO]-	257.175841	185.5
[M+Na-2H]-	219.136656	153.4
[M]+	198.16144142	152.6
[M]-	198.16253858	152.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe