CID 155487720

2445792-33-4

Structural Information

Molecular Formula
C11H14O4
SMILES
COC(=O)C12CC3CC1(CC3C2)C(=O)O
InChI
InChI=1S/C11H14O4/c1-15-9(14)11-4-6-2-10(11,8(12)13)3-7(6)5-11/h6-7H,2-5H2,1H3,(H,12,13)
InChIKey
HOGPPAYQIWQBPL-UHFFFAOYSA-N
Compound name
5-methoxycarbonyltricyclo[3.3.0.03,7]octane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

210.0892 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 211.09648 151.1
[M+Na]+ 233.07842 157.9
[M-H]- 209.08192 150.6
[M+NH4]+ 228.12302 183.8
[M+K]+ 249.05236 155.7
[M+H-H2O]+ 193.08646 150.7
[M+HCOO]- 255.08740 166.2
[M+CH3COO]- 269.10305 163.2
[M+Na-2H]- 231.06387 154.9
[M]+ 210.08865 157.4
[M]- 210.08975 157.4
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.