CID 16445810

4-[(2-hydroxyethyl)amino]-6-methyl-2h-chromen-2-one

Structural Information

Molecular Formula
C12H13NO3
SMILES
CC1=CC2=C(C=C1)OC(=O)C=C2NCCO
InChI
InChI=1S/C12H13NO3/c1-8-2-3-11-9(6-8)10(13-4-5-14)7-12(15)16-11/h2-3,6-7,13-14H,4-5H2,1H3
InChIKey
LVHFBCDNXTZXKE-UHFFFAOYSA-N
Compound name
4-(2-hydroxyethylamino)-6-methylchromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

219.08954 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 220.09682 145.0
[M+Na]+ 242.07876 154.3
[M-H]- 218.08226 149.6
[M+NH4]+ 237.12336 162.8
[M+K]+ 258.05270 152.0
[M+H-H2O]+ 202.08680 138.7
[M+HCOO]- 264.08774 167.9
[M+CH3COO]- 278.10339 189.2
[M+Na-2H]- 240.06421 153.5
[M]+ 219.08899 147.6
[M]- 219.09009 147.6
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.