CID 11791542

63659-17-6

Structural Information

Molecular Formula
C15H20O3
SMILES
C1CC1COCCC2=CC=C(C=C2)OCC3CO3
InChI
InChI=1S/C15H20O3/c1-2-13(1)9-16-8-7-12-3-5-14(6-4-12)17-10-15-11-18-15/h3-6,13,15H,1-2,7-11H2
InChIKey
DQRZXLUCRJNWKV-UHFFFAOYSA-N
Compound name
2-[[4-[2-(cyclopropylmethoxy)ethyl]phenoxy]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

248.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.14853 138.4
[M+Na]+ 271.13047 151.9
[M+NH4]+ 266.17507 147.0
[M+K]+ 287.10441 149.6
[M-H]- 247.13397 155.2
[M+Na-2H]- 269.11592 150.7
[M]+ 248.14070 147.1
[M]- 248.14180 147.1
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

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