CID 24807189

2-amino-4h-chromene-3-carbonitrile

Structural Information

Molecular Formula
C10H8N2O
SMILES
C1C2=CC=CC=C2OC(=C1C#N)N
InChI
InChI=1S/C10H8N2O/c11-6-8-5-7-3-1-2-4-9(7)13-10(8)12/h1-4H,5,12H2
InChIKey
HTDJFGBZDIJBSP-UHFFFAOYSA-N
Compound name
2-amino-4H-chromene-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

5
Patents

172.06366 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.070936 137.0
[M+Na]+ 195.052878 148.0
[M-H]- 171.056384 141.1
[M+NH4]+ 190.097483 154.8
[M+K]+ 211.026818 144.1
[M+H-H2O]+ 155.060920 124.7
[M+HCOO]- 217.061861 155.9
[M+CH3COO]- 231.077511 149.3
[M+Na-2H]- 193.038326 144.8
[M]+ 172.06311142 130.7
[M]- 172.06420858 130.7
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