CID 113928

63834-61-7

Structural Information

Molecular Formula
C13H20O4
SMILES
CCCCOC1=CC=CC=C1OCC(CO)O
InChI
InChI=1S/C13H20O4/c1-2-3-8-16-12-6-4-5-7-13(12)17-10-11(15)9-14/h4-7,11,14-15H,2-3,8-10H2,1H3
InChIKey
YJWTWVLTCKLKJR-UHFFFAOYSA-N
Compound name
3-(2-butoxyphenoxy)propane-1,2-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.13615 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.14343 155.8
[M+Na]+ 263.12537 161.0
[M-H]- 239.12887 156.1
[M+NH4]+ 258.16997 172.0
[M+K]+ 279.09931 159.0
[M+H-H2O]+ 223.13341 149.4
[M+HCOO]- 285.13435 175.9
[M+CH3COO]- 299.15000 188.3
[M+Na-2H]- 261.11082 158.9
[M]+ 240.13560 158.9
[M]- 240.13670 158.9
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.