CID 118254477

1638765-30-6

Structural Information

Molecular Formula
C11H16O4
SMILES
CC(C)(C)OC(=O)C12CC(C1)(C2)C(=O)O
InChI
InChI=1S/C11H16O4/c1-9(2,3)15-8(14)11-4-10(5-11,6-11)7(12)13/h4-6H2,1-3H3,(H,12,13)
InChIKey
GWMJQGGVPOMUAO-UHFFFAOYSA-N
Compound name
3-[(2-methylpropan-2-yl)oxycarbonyl]bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

212.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.11214 166.4
[M+Na]+ 235.09408 161.7
[M+NH4]+ 230.13868 164.4
[M+K]+ 251.06802 160.7
[M-H]- 211.09758 157.1
[M+Na-2H]- 233.07953 160.5
[M]+ 212.10431 160.4
[M]- 212.10541 160.4
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

patents stripe