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

66
Patents

212.10486 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.112136 172.7
[M+Na]+ 235.094078 174.7
[M-H]- 211.097584 174.4
[M+NH4]+ 230.138683 176.8
[M+K]+ 251.068018 181.1
[M+H-H2O]+ 195.102120 160.2
[M+HCOO]- 257.103061 181.6
[M+CH3COO]- 271.118711 211.6
[M+Na-2H]- 233.079526 176.4
[M]+ 212.10431142 198.2
[M]- 212.10540858 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