CID 165639289

4-ethoxybicyclo[2.2.1]heptane-1-carboxylicacid

Structural Information

Molecular Formula
C10H16O3
SMILES
CCOC12CCC(C1)(CC2)C(=O)O
InChI
InChI=1S/C10H16O3/c1-2-13-10-5-3-9(7-10,4-6-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
LPWPRULVFVAXQE-UHFFFAOYSA-N
Compound name
4-ethoxybicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 143.8
[M+Na]+ 207.09916 150.8
[M-H]- 183.10266 145.2
[M+NH4]+ 202.14376 171.6
[M+K]+ 223.07310 148.9
[M+H-H2O]+ 167.10720 140.9
[M+HCOO]- 229.10814 162.9
[M+CH3COO]- 243.12379 177.3
[M+Na-2H]- 205.08461 148.5
[M]+ 184.10939 143.7
[M]- 184.11049 143.7
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.