CID 12820283

Bicyclo[1.1.1]pentane-1,3-dicarboxylic acid

Structural Information

Molecular Formula
C7H8O4
SMILES
C1C2(CC1(C2)C(=O)O)C(=O)O
InChI
InChI=1S/C7H8O4/c8-4(9)6-1-7(2-6,3-6)5(10)11/h1-3H2,(H,8,9)(H,10,11)
InChIKey
SBLRPOGZAJTJEG-UHFFFAOYSA-N
Compound name
bicyclo[1.1.1]pentane-1,3-dicarboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

152
Patents

156.04225 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.04953 152.8
[M+Na]+ 179.03147 148.4
[M+NH4]+ 174.07607 151.1
[M+K]+ 195.00541 147.6
[M-H]- 155.03497 143.7
[M+Na-2H]- 177.01692 147.3
[M]+ 156.04170 146.8
[M]- 156.04280 146.8
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