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

13
Patents

154.09938 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 155.10666 135.3
[M+Na]+ 177.08860 140.2
[M-H]- 153.09210 137.3
[M+NH4]+ 172.13320 150.9
[M+K]+ 193.06254 141.5
[M+H-H2O]+ 137.09664 126.6
[M+HCOO]- 199.09758 154.7
[M+CH3COO]- 213.11323 177.7
[M+Na-2H]- 175.07405 139.7
[M]+ 154.09883 142.6
[M]- 154.09993 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