CID 165879791

2294783-29-0

Structural Information

Molecular Formula
C9H16O3
SMILES
CC1(CC(C1)C(C(=O)O)OC)C
InChI
InChI=1S/C9H16O3/c1-9(2)4-6(5-9)7(12-3)8(10)11/h6-7H,4-5H2,1-3H3,(H,10,11)
InChIKey
YOGNRWMZHPGCGJ-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclobutyl)-2-methoxyacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

172.10994 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.117216 139.7
[M+Na]+ 195.099158 144.8
[M-H]- 171.102664 142.1
[M+NH4]+ 190.143763 154.8
[M+K]+ 211.073098 147.8
[M+H-H2O]+ 155.107200 131.1
[M+HCOO]- 217.108141 158.1
[M+CH3COO]- 231.123791 182.5
[M+Na-2H]- 193.084606 142.2
[M]+ 172.10939142 148.9
[M]- 172.11048858 148.9
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.