CID 2736518

3-hydroxyadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H16O3
SMILES
C1C2CC3(CC1CC(C2)(C3)O)C(=O)O
InChI
InChI=1S/C11H16O3/c12-9(13)10-2-7-1-8(3-10)5-11(14,4-7)6-10/h7-8,14H,1-6H2,(H,12,13)
InChIKey
CJJMAWPEZKYJAP-UHFFFAOYSA-N
Compound name
3-hydroxyadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

865
Patents

196.10994 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 197.117216 147.3
[M+Na]+ 219.099158 150.5
[M-H]- 195.102664 140.5
[M+NH4]+ 214.143763 173.9
[M+K]+ 235.073098 147.2
[M+H-H2O]+ 179.107200 142.3
[M+HCOO]- 241.108141 151.5
[M+CH3COO]- 255.123791 155.8
[M+Na-2H]- 217.084606 158.4
[M]+ 196.10939142 146.5
[M]- 196.11048858 146.5
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