CID 3018797

78984-88-0

Structural Information

Molecular Formula

C₇H₁₂O₃

SMILES

CC1(CC(=O)OC1CO)C

InChI

InChI=1S/C7H12O3/c1-7(2)3-6(9)10-5(7)4-8/h5,8H,3-4H2,1-2H3

InChIKey

SDABEAVZPANNJV-UHFFFAOYSA-N

Compound name

5-(hydroxymethyl)-4,4-dimethyloxolan-2-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 60
Patents: 144.07864 Da
Monoisotopic Mass: 0.4
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]+	145.085916	126.3
[M+Na]+	167.067858	135.0
[M-H]-	143.071364	129.6
[M+NH4]+	162.112463	149.9
[M+K]+	183.041798	135.2
[M+H-H2O]+	127.075900	123.2
[M+HCOO]-	189.076841	147.7
[M+CH3COO]-	203.092491	170.4
[M+Na-2H]-	165.053306	132.1
[M]+	144.07809142	126.7
[M]-	144.07918858	126.7

Literature stripe

literature stripe

Patent stripe

patents stripe