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]+ 173.11722 137.4
[M+Na]+ 195.09916 143.7
[M-H]- 171.10266 140.1
[M+NH4]+ 190.14376 152.9
[M+K]+ 211.07310 146.1
[M+H-H2O]+ 155.10720 129.1
[M+HCOO]- 217.10814 156.8
[M+CH3COO]- 231.12379 182.8
[M+Na-2H]- 193.08461 140.7
[M]+ 172.10939 147.6
[M]- 172.11049 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.