CID 168569

26616-34-2

Structural Information

Molecular Formula
C10H14O2
SMILES
C1CC2CC1C3C2C4(C(C3)O4)O
InChI
InChI=1S/C10H14O2/c11-10-8(12-10)4-7-5-1-2-6(3-5)9(7)10/h5-9,11H,1-4H2
InChIKey
RLWTZCPVYQZSRP-UHFFFAOYSA-N
Compound name
4-oxatetracyclo[6.2.1.02,7.03,5]undecan-3-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

166.09938 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.10666 134.7
[M+Na]+ 189.08860 145.7
[M-H]- 165.09210 139.7
[M+NH4]+ 184.13320 158.8
[M+K]+ 205.06254 142.2
[M+H-H2O]+ 149.09664 132.9
[M+HCOO]- 211.09758 150.8
[M+CH3COO]- 225.11323 148.4
[M+Na-2H]- 187.07405 139.5
[M]+ 166.09883 137.5
[M]- 166.09993 137.5
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.