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]+ 139.07536 138.0
[M+Na]+ 161.05730 147.6
[M-H]- 137.06080 143.0
[M+NH4]+ 156.10190 150.9
[M+K]+ 177.03124 143.8
[M+H-H2O]+ 121.06534 134.0
[M+HCOO]- 183.06628 154.6
[M+CH3COO]- 197.08193 187.2
[M+Na-2H]- 159.04275 141.0
[M]+ 138.06753 142.0
[M]- 138.06863 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.