CID 47797

66016-17-9

Structural Information

Molecular Formula
C8H14O2
SMILES
CCCC1CC(C1)C(=O)O
InChI
InChI=1S/C8H14O2/c1-2-3-6-4-7(5-6)8(9)10/h6-7H,2-5H2,1H3,(H,9,10)
InChIKey
XYBJCZJXGGQMTQ-UHFFFAOYSA-N
Compound name
3-propylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

142.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 130.1
[M+Na]+ 165.088598 135.2
[M-H]- 141.092104 132.2
[M+NH4]+ 160.133203 144.6
[M+K]+ 181.062538 137.3
[M+H-H2O]+ 125.096640 120.4
[M+HCOO]- 187.097581 149.7
[M+CH3COO]- 201.113231 177.1
[M+Na-2H]- 163.074046 133.4
[M]+ 142.09883142 137.8
[M]- 142.09992858 137.8
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