CID 21634322

88888-30-6

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

91
Patents

156.07864 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 157.08592 135.5
[M+Na]+ 179.06786 142.9
[M-H]- 155.07136 135.9
[M+NH4]+ 174.11246 163.7
[M+K]+ 195.04180 140.7
[M+H-H2O]+ 139.07590 133.3
[M+HCOO]- 201.07684 153.8
[M+CH3COO]- 215.09249 168.8
[M+Na-2H]- 177.05331 140.8
[M]+ 156.07809 132.9
[M]- 156.07919 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