CID 84081251

3-cyclopropylcyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O2
SMILES
C1CC1C2CC(C2)C(=O)O
InChI
InChI=1S/C8H12O2/c9-8(10)7-3-6(4-7)5-1-2-5/h5-7H,1-4H2,(H,9,10)
InChIKey
HZOWHCJHYPNUPT-UHFFFAOYSA-N
Compound name
3-cyclopropylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

140.08372 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 141.09100 129.8
[M+Na]+ 163.07294 137.0
[M+NH4]+ 158.11754 134.9
[M+K]+ 179.04688 135.7
[M-H]- 139.07644 135.4
[M+Na-2H]- 161.05839 134.8
[M]+ 140.08317 132.2
[M]- 140.08427 132.2
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