CID 71744010

6-oxaspiro[3.4]octan-1-ol

Structural Information

Molecular Formula
C7H12O2
SMILES
C1CC2(C1O)CCOC2
InChI
InChI=1S/C7H12O2/c8-6-1-2-7(6)3-4-9-5-7/h6,8H,1-5H2
InChIKey
UVQVYZZBAUFHAQ-UHFFFAOYSA-N
Compound name
6-oxaspiro[3.4]octan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

128.08372 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 129.09100 118.7
[M+Na]+ 151.07294 124.2
[M-H]- 127.07644 123.7
[M+NH4]+ 146.11754 136.3
[M+K]+ 167.04688 127.1
[M+H-H2O]+ 111.08098 110.7
[M+HCOO]- 173.08192 138.1
[M+CH3COO]- 187.09757 169.3
[M+Na-2H]- 149.05839 126.0
[M]+ 128.08317 124.3
[M]- 128.08427 124.3
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.