CID 14650338

4-[4-(hydroxymethyl)phenoxy]butanenitrile

Structural Information

Molecular Formula
C11H13NO2
SMILES
C1=CC(=CC=C1CO)OCCCC#N
InChI
InChI=1S/C11H13NO2/c12-7-1-2-8-14-11-5-3-10(9-13)4-6-11/h3-6,13H,1-2,8-9H2
InChIKey
WAEZZCAFZLZKKH-UHFFFAOYSA-N
Compound name
4-[4-(hydroxymethyl)phenoxy]butanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

191.09464 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.101916 141.2
[M+Na]+ 214.083858 150.4
[M-H]- 190.087364 143.1
[M+NH4]+ 209.128463 158.4
[M+K]+ 230.057798 147.1
[M+H-H2O]+ 174.091900 129.0
[M+HCOO]- 236.092841 160.6
[M+CH3COO]- 250.108491 193.4
[M+Na-2H]- 212.069306 146.8
[M]+ 191.09409142 138.0
[M]- 191.09518858 138.0
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