CID 2774690

2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile

Structural Information

Molecular Formula
C16H15NO2
SMILES
COC1=CC=C(C=C1)COC2=CC=C(C=C2)CC#N
InChI
InChI=1S/C16H15NO2/c1-18-15-6-4-14(5-7-15)12-19-16-8-2-13(3-9-16)10-11-17/h2-9H,10,12H2,1H3
InChIKey
QJEJLARVLKHYFW-UHFFFAOYSA-N
Compound name
2-[4-[(4-methoxyphenyl)methoxy]phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

33
Patents

253.11028 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 254.117556 159.2
[M+Na]+ 276.099498 169.2
[M-H]- 252.103004 164.6
[M+NH4]+ 271.144103 174.4
[M+K]+ 292.073438 163.9
[M+H-H2O]+ 236.107540 145.2
[M+HCOO]- 298.108481 179.6
[M+CH3COO]- 312.124131 206.3
[M+Na-2H]- 274.084946 164.0
[M]+ 253.10973142 156.9
[M]- 253.11082858 156.9
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