CID 6484178

2-[(oxan-2-yl)methoxy]acetic acid

Structural Information

Molecular Formula

C₈H₁₄O₄

SMILES

C1CCOC(C1)COCC(=O)O

InChI

InChI=1S/C8H14O4/c9-8(10)6-11-5-7-3-1-2-4-12-7/h7H,1-6H2,(H,9,10)

InChIKey

DHQDMQIHHQMTMU-UHFFFAOYSA-N

Compound name

2-(oxan-2-ylmethoxy)acetic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 2
References: 3
Patents: 174.0892 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]+	175.09648	136.6
[M+Na]+	197.07842	140.8
[M-H]-	173.08192	138.5
[M+NH4]+	192.12302	154.3
[M+K]+	213.05236	141.8
[M+H-H2O]+	157.08646	130.9
[M+HCOO]-	219.08740	154.8
[M+CH3COO]-	233.10305	174.9
[M+Na-2H]-	195.06387	141.7
[M]+	174.08865	135.1
[M]-	174.08975	135.1

Literature stripe

literature stripe

Patent stripe

patents stripe