CID 126834701

2-{6-oxaspiro[3.5]nonan-7-yl}acetic acid

Structural Information

Molecular Formula
C10H16O3
SMILES
C1CC2(C1)CCC(OC2)CC(=O)O
InChI
InChI=1S/C10H16O3/c11-9(12)6-8-2-5-10(7-13-8)3-1-4-10/h8H,1-7H2,(H,11,12)
InChIKey
MFSUARVATREQOU-UHFFFAOYSA-N
Compound name
2-(6-oxaspiro[3.5]nonan-7-yl)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

184.10994 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.11722 136.0
[M+Na]+ 207.09916 139.3
[M-H]- 183.10266 140.1
[M+NH4]+ 202.14376 149.2
[M+K]+ 223.07310 142.4
[M+H-H2O]+ 167.10720 126.3
[M+HCOO]- 229.10814 151.7
[M+CH3COO]- 243.12379 180.5
[M+Na-2H]- 205.08461 141.6
[M]+ 184.10939 140.6
[M]- 184.11049 140.6
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.