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

42
Patents

248.14125 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.148526 161.6
[M+Na]+ 271.130468 168.2
[M-H]- 247.133974 171.4
[M+NH4]+ 266.175073 166.9
[M+K]+ 287.104408 167.9
[M+H-H2O]+ 231.138510 154.3
[M+HCOO]- 293.139451 181.6
[M+CH3COO]- 307.155101 204.1
[M+Na-2H]- 269.115916 165.5
[M]+ 248.14070142 169.2
[M]- 248.14179858 169.2
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