CID 2822702

80151-16-2

Structural Information

Molecular Formula
C10H7NO
SMILES
C1=CC(=CC=C1C#CCO)C#N
InChI
InChI=1S/C10H7NO/c11-8-10-5-3-9(4-6-10)2-1-7-12/h3-6,12H,7H2
InChIKey
WUBRVKKUJQPDQN-UHFFFAOYSA-N
Compound name
4-(3-hydroxyprop-1-ynyl)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

35
Patents

157.05276 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 160.2
[M+Na]+ 180.04198 169.5
[M+NH4]+ 175.08658 161.2
[M+K]+ 196.01592 158.7
[M-H]- 156.04548 149.9
[M+Na-2H]- 178.02743 159.9
[M]+ 157.05221 157.4
[M]- 157.05331 157.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe