CID 296845

697-56-3

Structural Information

Molecular Formula
C8H10O2
SMILES
C1C2CC3C1C3C2C(=O)O
InChI
InChI=1S/C8H10O2/c9-8(10)6-3-1-4-5(2-3)7(4)6/h3-7H,1-2H2,(H,9,10)
InChIKey
HUVFUOHAFNPPOE-UHFFFAOYSA-N
Compound name
tricyclo[2.2.1.02,6]heptane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
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 125.1
[M+Na]+ 161.05730 135.1
[M-H]- 137.06080 126.8
[M+NH4]+ 156.10190 150.4
[M+K]+ 177.03124 130.8
[M+H-H2O]+ 121.06534 123.3
[M+HCOO]- 183.06628 141.7
[M+CH3COO]- 197.08193 138.8
[M+Na-2H]- 159.04275 130.5
[M]+ 138.06753 132.2
[M]- 138.06863 132.2
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