CID 79425944

1-(cyclobutylmethyl)cyclopropanecarboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C1CC(C1)CC2(CC2)C(=O)O
InChI
InChI=1S/C9H14O2/c10-8(11)9(4-5-9)6-7-2-1-3-7/h7H,1-6H2,(H,10,11)
InChIKey
CQWSAHIVDKBHHH-UHFFFAOYSA-N
Compound name
1-(cyclobutylmethyl)cyclopropane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.106656 132.1
[M+Na]+ 177.088598 138.7
[M-H]- 153.092104 138.3
[M+NH4]+ 172.133203 143.3
[M+K]+ 193.062538 140.1
[M+H-H2O]+ 137.096640 123.0
[M+HCOO]- 199.097581 151.6
[M+CH3COO]- 213.113231 180.6
[M+Na-2H]- 175.074046 137.4
[M]+ 154.09883142 141.2
[M]- 154.09992858 141.2
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

No patent data available for this compound.