CID 118254477

3-(tert-butoxycarbonyl)bicyclo[1.1.1]pentane-1-carboxylic acid

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

69
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 172.7
[M+Na]+ 235.09408 174.7
[M-H]- 211.09758 174.4
[M+NH4]+ 230.13868 176.8
[M+K]+ 251.06802 181.1
[M+H-H2O]+ 195.10212 160.2
[M+HCOO]- 257.10306 181.6
[M+CH3COO]- 271.11871 211.6
[M+Na-2H]- 233.07953 176.4
[M]+ 212.10431 198.2
[M]- 212.10541 198.2
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