CID 13661944

3-[3-(3-hydroxypropyl)phenyl]propan-1-ol

Structural Information

Molecular Formula
C12H18O2
SMILES
C1=CC(=CC(=C1)CCCO)CCCO
InChI
InChI=1S/C12H18O2/c13-8-2-6-11-4-1-5-12(10-11)7-3-9-14/h1,4-5,10,13-14H,2-3,6-9H2
InChIKey
OTILCBBQTIFAGJ-UHFFFAOYSA-N
Compound name
3-[3-(3-hydroxypropyl)phenyl]propan-1-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

70
Patents

194.13068 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 195.13796 144.7
[M+Na]+ 217.11990 156.5
[M+NH4]+ 212.16450 152.6
[M+K]+ 233.09384 149.5
[M-H]- 193.12340 146.1
[M+Na-2H]- 215.10535 150.4
[M]+ 194.13013 146.7
[M]- 194.13123 146.7
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