CID 13285141

4-(methoxymethyl)benzonitrile

Structural Information

Molecular Formula
C9H9NO
SMILES
COCC1=CC=C(C=C1)C#N
InChI
InChI=1S/C9H9NO/c1-11-7-9-4-2-8(6-10)3-5-9/h2-5H,7H2,1H3
InChIKey
RUWUCOYLNIGKRD-UHFFFAOYSA-N
Compound name
4-(methoxymethyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

204
Patents

147.06842 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 148.07570 130.9
[M+Na]+ 170.05764 143.8
[M+NH4]+ 165.10224 136.6
[M+K]+ 186.03158 133.9
[M-H]- 146.06114 126.2
[M+Na-2H]- 168.04309 136.1
[M]+ 147.06787 130.6
[M]- 147.06897 130.6
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

patents stripe