CID 12619671

2-(oxiran-2-ylmethoxy)benzonitrile

Structural Information

Molecular Formula
C10H9NO2
SMILES
C1C(O1)COC2=CC=CC=C2C#N
InChI
InChI=1S/C10H9NO2/c11-5-8-3-1-2-4-10(8)13-7-9-6-12-9/h1-4,9H,6-7H2
InChIKey
BIJYXIOVXFBJEP-UHFFFAOYSA-N
Compound name
2-(oxiran-2-ylmethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

247
Patents

175.06332 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 176.070596 131.0
[M+Na]+ 198.052538 147.1
[M-H]- 174.056044 140.1
[M+NH4]+ 193.097143 145.6
[M+K]+ 214.026478 142.2
[M+H-H2O]+ 158.060580 120.6
[M+HCOO]- 220.061521 153.4
[M+CH3COO]- 234.077171 194.4
[M+Na-2H]- 196.037986 140.8
[M]+ 175.06277142 132.6
[M]- 175.06386858 132.6
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