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

4
Patents

177.07898 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 137.2
[M+Na]+ 200.06820 146.8
[M-H]- 176.07170 139.3
[M+NH4]+ 195.11280 154.9
[M+K]+ 216.04214 143.8
[M+H-H2O]+ 160.07624 125.2
[M+HCOO]- 222.07718 157.0
[M+CH3COO]- 236.09283 190.7
[M+Na-2H]- 198.05365 143.3
[M]+ 177.07843 133.7
[M]- 177.07953 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