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]+ 179.10666 133.4
[M+Na]+ 201.08860 137.7
[M-H]- 177.09210 135.2
[M+NH4]+ 196.13320 140.1
[M+K]+ 217.06254 139.3
[M+H-H2O]+ 161.09664 128.5
[M+HCOO]- 223.09758 142.1
[M+CH3COO]- 237.11323 222.2
[M+Na-2H]- 199.07405 135.2
[M]+ 178.09883 136.5
[M]- 178.09993 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.