CID 12968471

Haplophytin-a

Structural Information

Molecular Formula

C₁₅H₁₅NO₃

SMILES

CC1(C=CC2=C(O1)C3=C(C=CC=C3OC)NC2=O)C

InChI

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

InChIKey

SMAYXCAPAZDLBX-UHFFFAOYSA-N

Compound name

10-methoxy-2,2-dimethyl-6H-pyrano[3,2-c]quinolin-5-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 257.1052 Da
Monoisotopic Mass: 2.0
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	156.0
[M+Na]+	280.094418	167.2
[M-H]-	256.097924	160.3
[M+NH4]+	275.139023	174.3
[M+K]+	296.068358	163.9
[M+H-H2O]+	240.102460	148.7
[M+HCOO]-	302.103401	173.7
[M+CH3COO]-	316.119051	168.8
[M+Na-2H]-	278.079866	164.8
[M]+	257.10465142	158.9
[M]-	257.10574858	158.9

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.