CID 14838448

Schembl9458737

Structural Information

Molecular Formula
C15H21NO3
SMILES
COC(=O)CCNCCC1CC2=CC=CC=C2OC1
InChI
InChI=1S/C15H21NO3/c1-18-15(17)7-9-16-8-6-12-10-13-4-2-3-5-14(13)19-11-12/h2-5,12,16H,6-11H2,1H3
InChIKey
TTYQEMNZUFKYFE-UHFFFAOYSA-N
Compound name
methyl 3-[2-(3,4-dihydro-2H-chromen-3-yl)ethylamino]propanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

263.15213 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.159406 161.4
[M+Na]+ 286.141348 165.6
[M-H]- 262.144854 165.2
[M+NH4]+ 281.185953 177.2
[M+K]+ 302.115288 164.3
[M+H-H2O]+ 246.149390 153.9
[M+HCOO]- 308.150331 180.8
[M+CH3COO]- 322.165981 199.1
[M+Na-2H]- 284.126796 166.9
[M]+ 263.15158142 162.4
[M]- 263.15267858 162.4
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.