CID 56962176

5-oxaspiro[3.5]nonane-2-carboxylic acid

Structural Information

Molecular Formula
C9H14O3
SMILES
C1CCOC2(C1)CC(C2)C(=O)O
InChI
InChI=1S/C9H14O3/c10-8(11)7-5-9(6-7)3-1-2-4-12-9/h7H,1-6H2,(H,10,11)
InChIKey
YXJQEKYNPLVKTG-UHFFFAOYSA-N
Compound name
5-oxaspiro[3.5]nonane-2-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

170.0943 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 171.10158 131.3
[M+Na]+ 193.08352 135.0
[M-H]- 169.08702 135.6
[M+NH4]+ 188.12812 145.1
[M+K]+ 209.05746 138.4
[M+H-H2O]+ 153.09156 121.9
[M+HCOO]- 215.09250 147.3
[M+CH3COO]- 229.10815 177.6
[M+Na-2H]- 191.06897 137.5
[M]+ 170.09375 135.6
[M]- 170.09485 135.6
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.