CID 54593211

3-(2-hydroxypropoxy)benzonitrile

Structural Information

Molecular Formula
C10H11NO2
SMILES
CC(COC1=CC=CC(=C1)C#N)O
InChI
InChI=1S/C10H11NO2/c1-8(12)7-13-10-4-2-3-9(5-10)6-11/h2-5,8,12H,7H2,1H3
InChIKey
LNSDAKDPLKABPL-UHFFFAOYSA-N
Compound name
3-(2-hydroxypropoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

177.07898 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 178.08626 138.3
[M+Na]+ 200.06820 149.8
[M+NH4]+ 195.11280 142.9
[M+K]+ 216.04214 141.1
[M-H]- 176.07170 132.5
[M+Na-2H]- 198.05365 141.9
[M]+ 177.07843 137.4
[M]- 177.07953 137.4
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.