CID 177801648

(1r,3s)-7-oxaspiro[3.5]nonane-1,3-diol

Structural Information

Molecular Formula
C8H14O3
SMILES
C1COCCC12[C@@H](C[C@@H]2O)O
InChI
InChI=1S/C8H14O3/c9-6-5-7(10)8(6)1-3-11-4-2-8/h6-7,9-10H,1-5H2/t6-,7+
InChIKey
SGHWZHLALMTKSQ-KNVOCYPGSA-N
Compound name
(1R,3S)-7-oxaspiro[3.5]nonane-1,3-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

158.0943 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 127.4
[M+Na]+ 181.083518 132.1
[M-H]- 157.087024 130.9
[M+NH4]+ 176.128123 141.5
[M+K]+ 197.057458 134.8
[M+H-H2O]+ 141.091560 118.5
[M+HCOO]- 203.092501 143.1
[M+CH3COO]- 217.108151 173.2
[M+Na-2H]- 179.068966 134.3
[M]+ 158.09375142 131.3
[M]- 158.09484858 131.3
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.