CID 119031911

2-(3,3-dimethylcyclobutyl)acetic acid

Structural Information

Molecular Formula
C8H14O2
SMILES
CC1(CC(C1)CC(=O)O)C
InChI
InChI=1S/C8H14O2/c1-8(2)4-6(5-8)3-7(9)10/h6H,3-5H2,1-2H3,(H,9,10)
InChIKey
CSWFRCFXIHKGAF-UHFFFAOYSA-N
Compound name
2-(3,3-dimethylcyclobutyl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

142.09938 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 132.3
[M+Na]+ 165.08860 137.8
[M+NH4]+ 160.13320 137.5
[M+K]+ 181.06254 133.3
[M-H]- 141.09210 129.8
[M+Na-2H]- 163.07405 134.9
[M]+ 142.09883 131.1
[M]- 142.09993 131.1
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

patents stripe