CID 170912310

2-[3-(methoxymethyl)-3-methylcyclobutyl]acetic acid

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CC(C1)CC(=O)O)COC
InChI
InChI=1S/C9H16O3/c1-9(6-12-2)4-7(5-9)3-8(10)11/h7H,3-6H2,1-2H3,(H,10,11)
InChIKey
CQSJQDHOPGWQCL-UHFFFAOYSA-N
Compound name
2-[3-(methoxymethyl)-3-methylcyclobutyl]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 138.2
[M+Na]+ 195.099158 143.6
[M-H]- 171.102664 140.5
[M+NH4]+ 190.143763 153.4
[M+K]+ 211.073098 146.0
[M+H-H2O]+ 155.107200 129.5
[M+HCOO]- 217.108141 157.6
[M+CH3COO]- 231.123791 181.6
[M+Na-2H]- 193.084606 142.1
[M]+ 172.10939142 148.0
[M]- 172.11048858 148.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.