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]+ 137.05971 139.0
[M+Na]+ 159.04165 147.2
[M-H]- 135.04515 143.0
[M+NH4]+ 154.08625 151.5
[M+K]+ 175.01559 145.2
[M+H-H2O]+ 119.04969 133.4
[M+HCOO]- 181.05063 150.4
[M+CH3COO]- 195.06628 149.4
[M+Na-2H]- 157.02710 144.0
[M]+ 136.05188 155.5
[M]- 136.05298 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