CID 381079

Nsc667230

Structural Information

Molecular Formula
C14H17NO3
SMILES
CCOC(=O)C1=CCOC2=C1C=CC(=C2)N(C)C
InChI
InChI=1S/C14H17NO3/c1-4-17-14(16)12-7-8-18-13-9-10(15(2)3)5-6-11(12)13/h5-7,9H,4,8H2,1-3H3
InChIKey
ARGHQPUSDLVPAL-UHFFFAOYSA-N
Compound name
ethyl 7-(dimethylamino)-2H-chromene-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

247.12085 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 248.12813 155.5
[M+Na]+ 270.11007 162.3
[M-H]- 246.11357 162.0
[M+NH4]+ 265.15467 173.1
[M+K]+ 286.08401 162.6
[M+H-H2O]+ 230.11811 148.4
[M+HCOO]- 292.11905 177.3
[M+CH3COO]- 306.13470 200.3
[M+Na-2H]- 268.09552 161.2
[M]+ 247.12030 159.4
[M]- 247.12140 159.4
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.