CID 13981154

111233-95-5

Structural Information

Molecular Formula
C8H8O2
SMILES
C1C2C3C2C4(C1C34)C(=O)O
InChI
InChI=1S/C8H8O2/c9-7(10)8-3-1-2-4(5(2)8)6(3)8/h2-6H,1H2,(H,9,10)
InChIKey
ZQVIGQPPRLWBGO-UHFFFAOYSA-N
Compound name
tetracyclo[3.2.0.02,7.04,6]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

136.05243 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 137.059706 139.0
[M+Na]+ 159.041648 147.2
[M-H]- 135.045154 143.0
[M+NH4]+ 154.086253 151.5
[M+K]+ 175.015588 145.2
[M+H-H2O]+ 119.049690 133.4
[M+HCOO]- 181.050631 150.4
[M+CH3COO]- 195.066281 149.4
[M+Na-2H]- 157.027096 144.0
[M]+ 136.05188142 155.5
[M]- 136.05297858 155.5
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

patents stripe