CID 91915

Decahydro-2-hydroxy-2,5,5,8a-tetramethylnaphthalene-1-ethanol

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

592
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 162.1
[M+Na]+ 277.21380 167.8
[M-H]- 253.21730 163.1
[M+NH4]+ 272.25840 185.2
[M+K]+ 293.18774 164.5
[M+H-H2O]+ 237.22184 158.4
[M+HCOO]- 299.22278 174.1
[M+CH3COO]- 313.23843 193.3
[M+Na-2H]- 275.19925 165.5
[M]+ 254.22403 157.7
[M]- 254.22513 157.7
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