CID 165643672

En300-1913638

Structural Information

Molecular Formula
C10H10BrNO2
SMILES
COC1=C(C(=CC=C1)Br)C(CC#N)O
InChI
InChI=1S/C10H10BrNO2/c1-14-9-4-2-3-7(11)10(9)8(13)5-6-12/h2-4,8,13H,5H2,1H3
InChIKey
LZHOOLASGXPRDT-UHFFFAOYSA-N
Compound name
3-(2-bromo-6-methoxyphenyl)-3-hydroxypropanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.98949 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.99677 144.7
[M+Na]+ 277.97871 157.7
[M-H]- 253.98221 148.3
[M+NH4]+ 273.02331 162.9
[M+K]+ 293.95265 146.4
[M+H-H2O]+ 237.98675 138.0
[M+HCOO]- 299.98769 163.4
[M+CH3COO]- 314.00334 201.1
[M+Na-2H]- 275.96416 150.0
[M]+ 254.98894 157.6
[M]- 254.99004 157.6
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.