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]+ 173.11722 139.7
[M+Na]+ 195.09916 144.8
[M-H]- 171.10266 142.1
[M+NH4]+ 190.14376 154.8
[M+K]+ 211.07310 147.8
[M+H-H2O]+ 155.10720 131.1
[M+HCOO]- 217.10814 158.1
[M+CH3COO]- 231.12379 182.5
[M+Na-2H]- 193.08461 142.2
[M]+ 172.10939 148.9
[M]- 172.11049 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.