CID 169194

30772-72-6

Structural Information

Molecular Formula
C11H16O2
SMILES
C1CC2CC1C3C2C(CC3)C(=O)O
InChI
InChI=1S/C11H16O2/c12-11(13)9-4-3-8-6-1-2-7(5-6)10(8)9/h6-10H,1-5H2,(H,12,13)
InChIKey
ONBQOCZVFSXWQW-UHFFFAOYSA-N
Compound name
tricyclo[5.2.1.02,6]decane-3-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

21
Patents

180.11504 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.122316 145.0
[M+Na]+ 203.104258 151.4
[M-H]- 179.107764 147.4
[M+NH4]+ 198.148863 172.0
[M+K]+ 219.078198 148.7
[M+H-H2O]+ 163.112300 142.1
[M+HCOO]- 225.113241 162.6
[M+CH3COO]- 239.128891 157.5
[M+Na-2H]- 201.089706 144.5
[M]+ 180.11449142 142.0
[M]- 180.11558858 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

patents stripe