CID 115712

Resorcindiglycidylether [czech]

Structural Information

Molecular Formula
C12H14O2
SMILES
C1C(O1)CC2=CC(=CC=C2)CC3CO3
InChI
InChI=1S/C12H14O2/c1-2-9(5-11-7-13-11)4-10(3-1)6-12-8-14-12/h1-4,11-12H,5-8H2
InChIKey
AGXAFZNONAXBOS-UHFFFAOYSA-N
Compound name
2-[[3-(oxiran-2-ylmethyl)phenyl]methyl]oxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4053
Patents

190.09938 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 191.10666 147.3
[M+Na]+ 213.08860 155.3
[M-H]- 189.09210 158.3
[M+NH4]+ 208.13320 153.6
[M+K]+ 229.06254 156.6
[M+H-H2O]+ 173.09664 140.2
[M+HCOO]- 235.09758 167.0
[M+CH3COO]- 249.11323 158.6
[M+Na-2H]- 211.07405 153.5
[M]+ 190.09883 153.4
[M]- 190.09993 153.4
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