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]+ 155.10666 128.8
[M+Na]+ 177.08860 131.8
[M-H]- 153.09210 133.6
[M+NH4]+ 172.13320 137.2
[M+K]+ 193.06254 136.3
[M+H-H2O]+ 137.09664 116.0
[M+HCOO]- 199.09758 145.5
[M+CH3COO]- 213.11323 186.6
[M+Na-2H]- 175.07405 133.0
[M]+ 154.09883 142.0
[M]- 154.09993 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.