CID 107680

64358-50-5

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

CC1=CC(=O)OC2=C(C3=C(C=C12)C(=C(O3)C)CN)C

InChI

InChI=1S/C15H15NO3/c1-7-4-13(17)19-14-8(2)15-11(5-10(7)14)12(6-16)9(3)18-15/h4-5H,6,16H2,1-3H3

InChIKey

WBIICVGYYRRURR-UHFFFAOYSA-N

Compound name

3-(aminomethyl)-2,5,9-trimethylfuro[3,2-g]chromen-7-one

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 80
References: 1260
Patents: 257.1052 Da
Monoisotopic Mass: 1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	258.112476	157.1
[M+Na]+	280.094418	170.7
[M-H]-	256.097924	165.5
[M+NH4]+	275.139023	176.3
[M+K]+	296.068358	168.4
[M+H-H2O]+	240.102460	151.7
[M+HCOO]-	302.103401	180.6
[M+CH3COO]-	316.119051	172.0
[M+Na-2H]-	278.079866	163.2
[M]+	257.10465142	164.5
[M]-	257.10574858	164.5

Literature stripe

literature stripe

Patent stripe

patents stripe