CID 25923

13363-91-2

Structural Information

Molecular Formula
C8H14O2
SMILES
CC(C)C1CC(C1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-5(2)6-3-7(4-6)8(9)10/h5-7H,3-4H2,1-2H3,(H,9,10)
InChIKey
SIDXWUAGUXXTNA-UHFFFAOYSA-N
Compound name
3-propan-2-ylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.6
[M+Na]+ 165.088598 136.5
[M-H]- 141.092104 133.8
[M+NH4]+ 160.133203 146.0
[M+K]+ 181.062538 139.1
[M+H-H2O]+ 125.096640 121.9
[M+HCOO]- 187.097581 150.2
[M+CH3COO]- 201.113231 178.0
[M+Na-2H]- 163.074046 133.6
[M]+ 142.09883142 138.7
[M]- 142.09992858 138.7
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