CID 117038

7-(ethylamino)coumarin

Structural Information

Molecular Formula
C11H11NO2
SMILES
CCNC1=CC2=C(C=C1)C=CC(=O)O2
InChI
InChI=1S/C11H11NO2/c1-2-12-9-5-3-8-4-6-11(13)14-10(8)7-9/h3-7,12H,2H2,1H3
InChIKey
LQDAIRJFZNQMNK-UHFFFAOYSA-N
Compound name
7-(ethylamino)chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

37
Patents

189.07898 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 190.08626 136.6
[M+Na]+ 212.06820 146.0
[M-H]- 188.07170 142.4
[M+NH4]+ 207.11280 156.1
[M+K]+ 228.04214 144.2
[M+H-H2O]+ 172.07624 130.4
[M+HCOO]- 234.07718 161.2
[M+CH3COO]- 248.09283 185.2
[M+Na-2H]- 210.05365 146.9
[M]+ 189.07843 138.9
[M]- 189.07953 138.9
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

No patent data available for this compound.