CID 34714

29839-57-4

Structural Information

Molecular Formula

C₇H₁₄O₂

SMILES

CC1C(CC(O1)(C)C)O

InChI

InChI=1S/C7H14O2/c1-5-6(8)4-7(2,3)9-5/h5-6,8H,4H2,1-3H3

InChIKey

LQNXAZISXNVYTF-UHFFFAOYSA-N

Compound name

2,5,5-trimethyloxolan-3-ol

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 8
Patents: 130.09938 Da
Monoisotopic Mass: 0.6
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]+	131.106656	124.7
[M+Na]+	153.088598	133.2
[M-H]-	129.092104	128.1
[M+NH4]+	148.133203	149.1
[M+K]+	169.062538	133.5
[M+H-H2O]+	113.096640	121.7
[M+HCOO]-	175.097581	145.7
[M+CH3COO]-	189.113231	169.3
[M+Na-2H]-	151.074046	130.4
[M]+	130.09883142	124.4
[M]-	130.09992858	124.4

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe