CID 145913251

2378507-06-1

Structural Information

Molecular Formula
C8H10O2
SMILES
C1C2C1C(C3C2C3)C(=O)O
InChI
InChI=1S/C8H10O2/c9-8(10)7-5-1-3(5)4-2-6(4)7/h3-7H,1-2H2,(H,9,10)
InChIKey
IIPVWAVONZUJBK-UHFFFAOYSA-N
Compound name
tricyclo[4.1.0.02,4]heptane-5-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

138.06808 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 139.075356 138.0
[M+Na]+ 161.057298 147.6
[M-H]- 137.060804 143.0
[M+NH4]+ 156.101903 150.9
[M+K]+ 177.031238 143.8
[M+H-H2O]+ 121.065340 134.0
[M+HCOO]- 183.066281 154.6
[M+CH3COO]- 197.081931 187.2
[M+Na-2H]- 159.042746 141.0
[M]+ 138.06753142 142.0
[M]- 138.06862858 142.0
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.