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

18
Patents

177.07898 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 135.7
[M+Na]+ 200.06820 145.7
[M-H]- 176.07170 139.0
[M+NH4]+ 195.11280 154.0
[M+K]+ 216.04214 143.4
[M+H-H2O]+ 160.07624 123.4
[M+HCOO]- 222.07718 156.8
[M+CH3COO]- 236.09283 193.1
[M+Na-2H]- 198.05365 142.4
[M]+ 177.07843 133.9
[M]- 177.07953 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