CID 12386946

2-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid

Structural Information

Molecular Formula
C8H12O3
SMILES
C1CC2CC1CC2(C(=O)O)O
InChI
InChI=1S/C8H12O3/c9-7(10)8(11)4-5-1-2-6(8)3-5/h5-6,11H,1-4H2,(H,9,10)
InChIKey
NLJMUWHNMKOGBO-UHFFFAOYSA-N
Compound name
2-hydroxybicyclo[2.2.1]heptane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.085916 134.6
[M+Na]+ 179.067858 141.9
[M-H]- 155.071364 135.0
[M+NH4]+ 174.112463 161.2
[M+K]+ 195.041798 139.8
[M+H-H2O]+ 139.075900 132.0
[M+HCOO]- 201.076841 152.9
[M+CH3COO]- 215.092491 170.1
[M+Na-2H]- 177.053306 138.2
[M]+ 156.07809142 132.0
[M]- 156.07918858 132.0
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