CID 130862857

1936373-81-7

Structural Information

Molecular Formula

C₈H₁₄O₃

SMILES

CC1(CC(C1)(C(=O)O)OC)C

InChI

InChI=1S/C8H14O3/c1-7(2)4-8(5-7,11-3)6(9)10/h4-5H2,1-3H3,(H,9,10)

InChIKey

WGCUJMZPTOOYKQ-UHFFFAOYSA-N

Compound name

1-methoxy-3,3-dimethylcyclobutane-1-carboxylic acid

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 158.0943 Da
Monoisotopic Mass: 1.2
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]+	159.101576	133.9
[M+Na]+	181.083518	140.6
[M-H]-	157.087024	136.9
[M+NH4]+	176.128123	151.7
[M+K]+	197.057458	143.4
[M+H-H2O]+	141.091560	127.0
[M+HCOO]-	203.092501	153.6
[M+CH3COO]-	217.108151	178.5
[M+Na-2H]-	179.068966	139.5
[M]+	158.09375142	143.8
[M]-	158.09484858	143.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.