CID 15107809

2-[[4-[[2-(1-methylethoxy)ethoxy]methyl]phenoxy]methyl]oxirane

Structural Information

Molecular Formula
C15H22O4
SMILES
CC(C)OCCOCC1=CC=C(C=C1)OCC2CO2
InChI
InChI=1S/C15H22O4/c1-12(2)17-8-7-16-9-13-3-5-14(6-4-13)18-10-15-11-19-15/h3-6,12,15H,7-11H2,1-2H3
InChIKey
RTXODTOQINKROX-UHFFFAOYSA-N
Compound name
2-[[4-(2-propan-2-yloxyethoxymethyl)phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

31
Patents

266.1518 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.159076 161.3
[M+Na]+ 289.141018 168.6
[M-H]- 265.144524 169.0
[M+NH4]+ 284.185623 171.9
[M+K]+ 305.114958 167.9
[M+H-H2O]+ 249.149060 153.4
[M+HCOO]- 311.150001 183.2
[M+CH3COO]- 325.165651 200.4
[M+Na-2H]- 287.126466 165.9
[M]+ 266.15125142 170.5
[M]- 266.15234858 170.5
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