CID 13130017

124439-88-9

Structural Information

Molecular Formula
C12H18O2
SMILES
C[C@@H](C[C@H](C)OCC1=CC=CC=C1)O
InChI
InChI=1S/C12H18O2/c1-10(13)8-11(2)14-9-12-6-4-3-5-7-12/h3-7,10-11,13H,8-9H2,1-2H3/t10-,11-/m0/s1
InChIKey
ZDGYZKNTFSWSEU-QWRGUYRKSA-N
Compound name
(2S,4S)-4-phenylmethoxypentan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

194.13068 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.137956 145.7
[M+Na]+ 217.119898 150.9
[M-H]- 193.123404 147.5
[M+NH4]+ 212.164503 164.3
[M+K]+ 233.093838 149.3
[M+H-H2O]+ 177.127940 139.7
[M+HCOO]- 239.128881 166.3
[M+CH3COO]- 253.144531 183.5
[M+Na-2H]- 215.105346 149.3
[M]+ 194.13013142 146.4
[M]- 194.13122858 146.4
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

No patent data available for this compound.