CID 137945318

(4z)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylic acid

Structural Information

Molecular Formula
C11H14O2
SMILES
C/1CC2C=C(C2CC/C=C1)C(=O)O
InChI
InChI=1S/C11H14O2/c12-11(13)10-7-8-5-3-1-2-4-6-9(8)10/h1-2,7-9H,3-6H2,(H,12,13)/b2-1-
InChIKey
NHYRHQRATMXRMJ-UPHRSURJSA-N
Compound name
(4Z)-bicyclo[6.2.0]deca-4,9-diene-9-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

178.09938 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.106656 133.4
[M+Na]+ 201.088598 137.7
[M-H]- 177.092104 135.2
[M+NH4]+ 196.133203 140.1
[M+K]+ 217.062538 139.3
[M+H-H2O]+ 161.096640 128.5
[M+HCOO]- 223.097581 142.1
[M+CH3COO]- 237.113231 222.2
[M+Na-2H]- 199.074046 135.2
[M]+ 178.09883142 136.5
[M]- 178.09992858 136.5
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.