CID 165756060

2758000-70-1

Structural Information

Molecular Formula
C11H16O3
SMILES
C1COCCC1C23CC(C2)(C3)C(=O)O
InChI
InChI=1S/C11H16O3/c12-9(13)11-5-10(6-11,7-11)8-1-3-14-4-2-8/h8H,1-7H2,(H,12,13)
InChIKey
LDLMKPLBXIGQDH-UHFFFAOYSA-N
Compound name
3-(oxan-4-yl)bicyclo[1.1.1]pentane-1-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
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 150.2
[M+Na]+ 219.099158 151.8
[M-H]- 195.102664 154.5
[M+NH4]+ 214.143763 153.9
[M+K]+ 235.073098 158.6
[M+H-H2O]+ 179.107200 136.7
[M+HCOO]- 241.108141 159.0
[M+CH3COO]- 255.123791 208.5
[M+Na-2H]- 217.084606 156.1
[M]+ 196.10939142 172.1
[M]- 196.11048858 172.1
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

No patent data available for this compound.