CID 18406

Propyl glycidyl ether

Structural Information

Molecular Formula
C6H12O2
SMILES
CCCOCC1CO1
InChI
InChI=1S/C6H12O2/c1-2-3-7-4-6-5-8-6/h6H,2-5H2,1H3
InChIKey
CWNOEVURTVLUNV-UHFFFAOYSA-N
Compound name
2-(propoxymethyl)oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

24407
Patents

116.08373 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 117.091006 124.2
[M+Na]+ 139.072948 133.4
[M-H]- 115.076454 129.6
[M+NH4]+ 134.117553 140.9
[M+K]+ 155.046888 134.0
[M+H-H2O]+ 99.080990 118.2
[M+HCOO]- 161.081931 147.7
[M+CH3COO]- 175.097581 173.3
[M+Na-2H]- 137.058396 132.9
[M]+ 116.08318142 130.1
[M]- 116.08427858 130.1
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