CID 79425082

1-(but-3-en-1-yl)cyclobutane-1-carboxylic acid

Structural Information

Molecular Formula
C9H14O2
SMILES
C=CCCC1(CCC1)C(=O)O
InChI
InChI=1S/C9H14O2/c1-2-3-5-9(8(10)11)6-4-7-9/h2H,1,3-7H2,(H,10,11)
InChIKey
JBVDIGGQAOGTHV-UHFFFAOYSA-N
Compound name
1-but-3-enylcyclobutane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
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 135.3
[M+Na]+ 177.088598 140.2
[M-H]- 153.092104 137.3
[M+NH4]+ 172.133203 150.9
[M+K]+ 193.062538 141.5
[M+H-H2O]+ 137.096640 126.6
[M+HCOO]- 199.097581 154.7
[M+CH3COO]- 213.113231 177.7
[M+Na-2H]- 175.074046 139.7
[M]+ 154.09883142 142.6
[M]- 154.09992858 142.6
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