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

73
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 144.9
[M+Na]+ 217.11990 151.1
[M-H]- 193.12340 145.4
[M+NH4]+ 212.16450 163.2
[M+K]+ 233.09384 147.6
[M+H-H2O]+ 177.12794 139.2
[M+HCOO]- 239.12888 165.9
[M+CH3COO]- 253.14453 180.3
[M+Na-2H]- 215.10535 149.8
[M]+ 194.13013 145.4
[M]- 194.13123 145.4
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

patents stripe