CID 20535716

2-[4-(2-hydroxyethoxy)phenyl]acetonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
C1=CC(=CC=C1CC#N)OCCO
InChI
InChI=1S/C10H11NO2/c11-6-5-9-1-3-10(4-2-9)13-8-7-12/h1-4,12H,5,7-8H2
InChIKey
VMBRYBBPGMAXEJ-UHFFFAOYSA-N
Compound name
2-[4-(2-hydroxyethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.086256 137.2
[M+Na]+ 200.068198 146.8
[M-H]- 176.071704 139.3
[M+NH4]+ 195.112803 154.9
[M+K]+ 216.042138 143.8
[M+H-H2O]+ 160.076240 125.2
[M+HCOO]- 222.077181 157.0
[M+CH3COO]- 236.092831 190.7
[M+Na-2H]- 198.053646 143.3
[M]+ 177.07843142 133.7
[M]- 177.07952858 133.7
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