CID 116489497

1-cyclobutylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC(C1)C2(CCC2)C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)9(5-2-6-9)7-3-1-4-7/h7H,1-6H2,(H,10,11)
InChIKey
CELRFWNPNKRGLY-UHFFFAOYSA-N
Compound name
1-cyclobutylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 128.8
[M+Na]+ 177.088598 131.8
[M-H]- 153.092104 133.6
[M+NH4]+ 172.133203 137.2
[M+K]+ 193.062538 136.3
[M+H-H2O]+ 137.096640 116.0
[M+HCOO]- 199.097581 145.5
[M+CH3COO]- 213.113231 186.6
[M+Na-2H]- 175.074046 133.0
[M]+ 154.09883142 142.0
[M]- 154.09992858 142.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.