CID 92659

Oxaspirane

Structural Information

Molecular Formula
C11H20O2
SMILES
CC1(CCOC2(C1)CCCCC2)O
InChI
InChI=1S/C11H20O2/c1-10(12)7-8-13-11(9-10)5-3-2-4-6-11/h12H,2-9H2,1H3
InChIKey
WTYRGXLTFZYIIM-UHFFFAOYSA-N
Compound name
4-methyl-1-oxaspiro[5.5]undecan-4-ol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

188
Patents

184.14633 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 185.15361 143.0
[M+Na]+ 207.13555 146.9
[M-H]- 183.13905 146.9
[M+NH4]+ 202.18015 164.6
[M+K]+ 223.10949 146.5
[M+H-H2O]+ 167.14359 137.7
[M+HCOO]- 229.14453 157.6
[M+CH3COO]- 243.16018 176.2
[M+Na-2H]- 205.12100 149.7
[M]+ 184.14578 135.5
[M]- 184.14688 135.5
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.