CID 80506

1-propanol, 3-(3-phenoxypropoxy)-, formate

Structural Information

Molecular Formula
C13H18O4
SMILES
C1=CC=C(C=C1)OCCCOCCCOC=O
InChI
InChI=1S/C13H18O4/c14-12-16-10-4-8-15-9-5-11-17-13-6-2-1-3-7-13/h1-3,6-7,12H,4-5,8-11H2
InChIKey
KNNIGWIJHNPUMS-UHFFFAOYSA-N
Compound name
3-(3-phenoxypropoxy)propyl formate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

238.12051 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 239.127786 153.4
[M+Na]+ 261.109728 159.2
[M-H]- 237.113234 156.1
[M+NH4]+ 256.154333 170.8
[M+K]+ 277.083668 157.8
[M+H-H2O]+ 221.117770 146.3
[M+HCOO]- 283.118711 177.8
[M+CH3COO]- 297.134361 190.6
[M+Na-2H]- 259.095176 159.5
[M]+ 238.11996142 159.9
[M]- 238.12105858 159.9
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.