CID 25090817

Octahydropentalene-1,2-diol

Structural Information

Molecular Formula
C8H14O2
SMILES
C1CC2CC(C(C2C1)O)O
InChI
InChI=1S/C8H14O2/c9-7-4-5-2-1-3-6(5)8(7)10/h5-10H,1-4H2
InChIKey
RVTNKLDREGTHJJ-UHFFFAOYSA-N
Compound name
1,2,3,3a,4,5,6,6a-octahydropentalene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

142.09938 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 143.106656 131.5
[M+Na]+ 165.088598 138.4
[M-H]- 141.092104 133.2
[M+NH4]+ 160.133203 156.4
[M+K]+ 181.062538 136.1
[M+H-H2O]+ 125.096640 127.9
[M+HCOO]- 187.097581 150.7
[M+CH3COO]- 201.113231 168.4
[M+Na-2H]- 163.074046 133.4
[M]+ 142.09883142 126.9
[M]- 142.09992858 126.9
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

patents stripe