CID 73200635

Schembl25279595

Structural Information

Molecular Formula
C15H26O2
SMILES
CC1(CC2C1C3CC3(C(CCC2(C)O)O)C)C
InChI
InChI=1S/C15H26O2/c1-13(2)7-10-12(13)9-8-14(9,3)11(16)5-6-15(10,4)17/h9-12,16-17H,5-8H2,1-4H3
InChIKey
USFOCJBPTUMHRF-UHFFFAOYSA-N
Compound name
4,8,11,11-tetramethyltricyclo[7.2.0.02,4]undecane-5,8-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

238.19328 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.20056 157.4
[M+Na]+ 261.18250 159.8
[M+NH4]+ 256.22710 160.3
[M+K]+ 277.15644 158.2
[M-H]- 237.18600 159.1
[M+Na-2H]- 259.16795 159.8
[M]+ 238.19273 158.3
[M]- 238.19383 158.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe