CID 137935575

2248406-62-2

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(C(CC1OC)CC(=O)O)C
InChI
InChI=1S/C9H16O3/c1-9(2)6(5-8(10)11)4-7(9)12-3/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey
JIXJVFKLFUWCIU-UHFFFAOYSA-N
Compound name
2-(3-methoxy-2,2-dimethylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 137.4
[M+Na]+ 195.099158 143.7
[M-H]- 171.102664 140.1
[M+NH4]+ 190.143763 152.9
[M+K]+ 211.073098 146.1
[M+H-H2O]+ 155.107200 129.1
[M+HCOO]- 217.108141 156.8
[M+CH3COO]- 231.123791 182.8
[M+Na-2H]- 193.084606 140.7
[M]+ 172.10939142 147.6
[M]- 172.11048858 147.6
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.