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

2
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 124.7
[M+Na]+ 163.07294 131.8
[M-H]- 139.07644 131.0
[M+NH4]+ 158.11754 134.8
[M+K]+ 179.04688 132.7
[M+H-H2O]+ 123.08098 114.5
[M+HCOO]- 185.08192 144.8
[M+CH3COO]- 199.09757 179.3
[M+Na-2H]- 161.05839 129.0
[M]+ 140.08317 133.4
[M]- 140.08427 133.4
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