CID 28491042

2-[(4-methoxyphenyl)methoxy]acetonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
COC1=CC=C(C=C1)COCC#N
InChI
InChI=1S/C10H11NO2/c1-12-10-4-2-9(3-5-10)8-13-7-6-11/h2-5H,7-8H2,1H3
InChIKey
OAWHYIVCYBJQAP-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)methoxy]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

177.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 135.7
[M+Na]+ 200.068198 145.7
[M-H]- 176.071704 139.0
[M+NH4]+ 195.112803 154.0
[M+K]+ 216.042138 143.4
[M+H-H2O]+ 160.076240 123.4
[M+HCOO]- 222.077181 156.8
[M+CH3COO]- 236.092831 193.1
[M+Na-2H]- 198.053646 142.4
[M]+ 177.07843142 133.9
[M]- 177.07952858 133.9
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