CID 24698174

3-(prop-2-yn-1-yloxy)benzonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C#CCOC1=CC=CC(=C1)C#N
InChI
InChI=1S/C10H7NO/c1-2-6-12-10-5-3-4-9(7-10)8-11/h1,3-5,7H,6H2
InChIKey
HROAIHLPIWAREZ-UHFFFAOYSA-N
Compound name
3-prop-2-ynoxybenzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

23
Patents

157.05276 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 159.3
[M+Na]+ 180.04198 168.9
[M+NH4]+ 175.08658 160.5
[M+K]+ 196.01592 158.0
[M-H]- 156.04548 149.4
[M+Na-2H]- 178.02743 159.5
[M]+ 157.05221 156.7
[M]- 157.05331 156.7
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