CID 146049383

2411219-52-6

Structural Information

Molecular Formula
C11H11NO3
SMILES
COC1=C(C=C(C=C1)OCC2CO2)C#N
InChI
InChI=1S/C11H11NO3/c1-13-11-3-2-9(4-8(11)5-12)14-6-10-7-15-10/h2-4,10H,6-7H2,1H3
InChIKey
PJCDBRHUAUSZTJ-UHFFFAOYSA-N
Compound name
2-methoxy-5-(oxiran-2-ylmethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

205.0739 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.08118 137.4
[M+Na]+ 228.06312 153.7
[M-H]- 204.06662 146.7
[M+NH4]+ 223.10772 151.2
[M+K]+ 244.03706 149.1
[M+H-H2O]+ 188.07116 127.0
[M+HCOO]- 250.07210 159.6
[M+CH3COO]- 264.08775 199.8
[M+Na-2H]- 226.04857 146.1
[M]+ 205.07335 141.0
[M]- 205.07445 141.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.