CID 21634322

4-hydroxybicyclo[2.2.1]heptane-1-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2(CCC1(C2)C(=O)O)O
InChI
InChI=1S/C8H12O3/c9-6(10)7-1-3-8(11,5-7)4-2-7/h11H,1-5H2,(H,9,10)
InChIKey
VKGAUWRAKOCURG-UHFFFAOYSA-N
Compound name
4-hydroxybicyclo[2.2.1]heptane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

79
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 135.5
[M+Na]+ 179.067858 142.9
[M-H]- 155.071364 135.9
[M+NH4]+ 174.112463 163.7
[M+K]+ 195.041798 140.7
[M+H-H2O]+ 139.075900 133.3
[M+HCOO]- 201.076841 153.8
[M+CH3COO]- 215.092491 168.8
[M+Na-2H]- 177.053306 140.8
[M]+ 156.07809142 132.9
[M]- 156.07918858 132.9
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