CID 24691717

4-(3-formylphenoxy)butanenitrile

Structural Information

Molecular Formula
C11H11NO2
SMILES
C1=CC(=CC(=C1)OCCCC#N)C=O
InChI
InChI=1S/C11H11NO2/c12-6-1-2-7-14-11-5-3-4-10(8-11)9-13/h3-5,8-9H,1-2,7H2
InChIKey
UQSURVXPSLHIFQ-UHFFFAOYSA-N
Compound name
4-(3-formylphenoxy)butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

189.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.086256 139.6
[M+Na]+ 212.068198 149.5
[M-H]- 188.071704 142.9
[M+NH4]+ 207.112803 157.5
[M+K]+ 228.042138 146.4
[M+H-H2O]+ 172.076240 127.2
[M+HCOO]- 234.077181 160.6
[M+CH3COO]- 248.092831 195.0
[M+Na-2H]- 210.053646 145.8
[M]+ 189.07843142 137.5
[M]- 189.07952858 137.5
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.