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]+ 195.13796 145.7
[M+Na]+ 217.11990 150.9
[M-H]- 193.12340 147.5
[M+NH4]+ 212.16450 164.3
[M+K]+ 233.09384 149.3
[M+H-H2O]+ 177.12794 139.7
[M+HCOO]- 239.12888 166.3
[M+CH3COO]- 253.14453 183.5
[M+Na-2H]- 215.10535 149.3
[M]+ 194.13013 146.4
[M]- 194.13123 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.