CID 12765153

4-methoxybicyclo[2.2.2]octane-1-carboxylic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
COC12CCC(CC1)(CC2)C(=O)O
InChI
InChI=1S/C10H16O3/c1-13-10-5-2-9(3-6-10,4-7-10)8(11)12/h2-7H2,1H3,(H,11,12)
InChIKey
DLBDAPLFRGILPT-UHFFFAOYSA-N
Compound name
4-methoxybicyclo[2.2.2]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

61
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 143.3
[M+Na]+ 207.09916 147.9
[M-H]- 183.10266 138.8
[M+NH4]+ 202.14376 170.4
[M+K]+ 223.07310 146.0
[M+H-H2O]+ 167.10720 139.3
[M+HCOO]- 229.10814 153.1
[M+CH3COO]- 243.12379 182.6
[M+Na-2H]- 205.08461 155.0
[M]+ 184.10939 144.4
[M]- 184.11049 144.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe