CID 2842515

4-oxoadamantane-1-carboxylic acid

Structural Information

Molecular Formula
C11H14O3
SMILES
C1C2CC3CC(C2)(CC1C3=O)C(=O)O
InChI
InChI=1S/C11H14O3/c12-9-7-1-6-2-8(9)5-11(3-6,4-7)10(13)14/h6-8H,1-5H2,(H,13,14)
InChIKey
VFNJWHFPIRNNRQ-UHFFFAOYSA-N
Compound name
4-oxoadamantane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

511
Patents

194.0943 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.10158 143.0
[M+Na]+ 217.08352 146.3
[M-H]- 193.08702 137.6
[M+NH4]+ 212.12812 168.6
[M+K]+ 233.05746 143.6
[M+H-H2O]+ 177.09156 138.2
[M+HCOO]- 239.09250 149.0
[M+CH3COO]- 253.10815 152.2
[M+Na-2H]- 215.06897 153.2
[M]+ 194.09375 143.1
[M]- 194.09485 143.1
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