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

34
Patents

142.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.10666 131.6
[M+Na]+ 165.08860 136.5
[M-H]- 141.09210 133.8
[M+NH4]+ 160.13320 146.0
[M+K]+ 181.06254 139.1
[M+H-H2O]+ 125.09664 121.9
[M+HCOO]- 187.09758 150.2
[M+CH3COO]- 201.11323 178.0
[M+Na-2H]- 163.07405 133.6
[M]+ 142.09883 138.7
[M]- 142.09993 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