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

18
Patents

156.07864 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 134.6
[M+Na]+ 179.06786 141.9
[M-H]- 155.07136 135.0
[M+NH4]+ 174.11246 161.2
[M+K]+ 195.04180 139.8
[M+H-H2O]+ 139.07590 132.0
[M+HCOO]- 201.07684 152.9
[M+CH3COO]- 215.09249 170.1
[M+Na-2H]- 177.05331 138.2
[M]+ 156.07809 132.0
[M]- 156.07919 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