CID 94826

(2,3-epoxypropyl)benzene

Structural Information

Molecular Formula
C9H10O
SMILES
C1C(O1)CC2=CC=CC=C2
InChI
InChI=1S/C9H10O/c1-2-4-8(5-3-1)6-9-7-10-9/h1-5,9H,6-7H2
InChIKey
JFDMLXYWGLECEY-UHFFFAOYSA-N
Compound name
2-benzyloxirane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

5277
Patents

134.07317 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.08045 124.3
[M+Na]+ 157.06239 133.8
[M-H]- 133.06589 132.8
[M+NH4]+ 152.10699 140.1
[M+K]+ 173.03633 133.2
[M+H-H2O]+ 117.07043 117.8
[M+HCOO]- 179.07137 148.8
[M+CH3COO]- 193.08702 175.6
[M+Na-2H]- 155.04784 134.2
[M]+ 134.07262 127.4
[M]- 134.07372 127.4
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