CID 3056589

Brn 2454648

Structural Information

Molecular Formula
C15H22O
SMILES
CCC1=CC=CC=C1[C@@]2(CCCC[C@H]2C)O
InChI
InChI=1S/C15H22O/c1-3-13-9-4-5-10-14(13)15(16)11-7-6-8-12(15)2/h4-5,9-10,12,16H,3,6-8,11H2,1-2H3/t12-,15+/m1/s1
InChIKey
UDOVUYSGHLSSPN-DOMZBBRYSA-N
Compound name
trans-(1S,2R)-1-(2-ethylphenyl)-2-methylcyclohexan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.16707 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.174346 152.0
[M+Na]+ 241.156288 157.6
[M-H]- 217.159794 156.9
[M+NH4]+ 236.200893 171.9
[M+K]+ 257.130228 154.1
[M+H-H2O]+ 201.164330 145.9
[M+HCOO]- 263.165271 170.6
[M+CH3COO]- 277.180921 187.3
[M+Na-2H]- 239.141736 155.8
[M]+ 218.16652142 147.8
[M]- 218.16761858 147.8
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.