CID 42438

2h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C10H7NO
SMILES
C1C(=CC2=CC=CC=C2O1)C#N
InChI
InChI=1S/C10H7NO/c11-6-8-5-9-3-1-2-4-10(9)12-7-8/h1-5H,7H2
InChIKey
NQOLOKKZYCSJRL-UHFFFAOYSA-N
Compound name
2H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

2
References

95
Patents

157.05276 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.06004 135.6
[M+Na]+ 180.04198 149.6
[M+NH4]+ 175.08658 142.1
[M+K]+ 196.01592 139.2
[M-H]- 156.04548 132.9
[M+Na-2H]- 178.02743 140.4
[M]+ 157.05221 136.2
[M]- 157.05331 136.2
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