CID 12514021

4-(aminomethyl)-7-hydroxy-2h-chromen-2-one

Structural Information

Molecular Formula
C10H9NO3
SMILES
C1=CC2=C(C=C1O)OC(=O)C=C2CN
InChI
InChI=1S/C10H9NO3/c11-5-6-3-10(13)14-9-4-7(12)1-2-8(6)9/h1-4,12H,5,11H2
InChIKey
HVMBPUABKRKNPU-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-7-hydroxychromen-2-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

41
Patents

191.05824 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 192.065516 136.2
[M+Na]+ 214.047458 146.5
[M-H]- 190.050964 140.7
[M+NH4]+ 209.092063 154.9
[M+K]+ 230.021398 144.3
[M+H-H2O]+ 174.055500 130.4
[M+HCOO]- 236.056441 159.2
[M+CH3COO]- 250.072091 182.5
[M+Na-2H]- 212.032906 144.8
[M]+ 191.05769142 137.2
[M]- 191.05878858 137.2
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