CID 120061

7-(ethylamino)-4-methylcoumarin

Structural Information

Molecular Formula
C12H13NO2
SMILES
CCNC1=CC2=C(C=C1)C(=CC(=O)O2)C
InChI
InChI=1S/C12H13NO2/c1-3-13-9-4-5-10-8(2)6-12(14)15-11(10)7-9/h4-7,13H,3H2,1-2H3
InChIKey
OTNIKUTWXUODJZ-UHFFFAOYSA-N
Compound name
7-(ethylamino)-4-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

491
Patents

203.09464 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.10192 141.4
[M+Na]+ 226.08386 151.3
[M-H]- 202.08736 147.5
[M+NH4]+ 221.12846 160.7
[M+K]+ 242.05780 149.3
[M+H-H2O]+ 186.09190 135.2
[M+HCOO]- 248.09284 165.7
[M+CH3COO]- 262.10849 189.4
[M+Na-2H]- 224.06931 150.4
[M]+ 203.09409 144.5
[M]- 203.09519 144.5
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