CID 91915

Sclareol glycol

Structural Information

Molecular Formula
C16H30O2
SMILES
CC1(CCCC2(C1CCC(C2CCO)(C)O)C)C
InChI
InChI=1S/C16H30O2/c1-14(2)8-5-9-15(3)12(14)6-10-16(4,18)13(15)7-11-17/h12-13,17-18H,5-11H2,1-4H3
InChIKey
AIALTZSQORJYNJ-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-2,5,5,8a-tetramethyl-3,4,4a,6,7,8-hexahydro-1H-naphthalen-2-ol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

17
References

583
Patents

254.22458 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.23186 162.0
[M+Na]+ 277.21380 171.3
[M+NH4]+ 272.25840 174.6
[M+K]+ 293.18774 159.5
[M-H]- 253.21730 163.6
[M+Na-2H]- 275.19925 168.1
[M]+ 254.22403 164.2
[M]- 254.22513 164.2
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

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