CID 135770297

7,8-dihydro-5-methoxypyrano(2,3-g)indol-9(1h)-one oxime

Structural Information

Molecular Formula

C₁₂H₁₂N₂O₃

SMILES

COC1=C2C(=C3C(=C1)C=CN3)/C(=N/O)/CCO2

InChI

InChI=1S/C12H12N2O3/c1-16-9-6-7-2-4-13-11(7)10-8(14-15)3-5-17-12(9)10/h2,4,6,13,15H,3,5H2,1H3/b14-8+

InChIKey

UWKVYNNYMWVHHP-RIYZIHGNSA-N

Compound name

(NE)-N-(5-methoxy-7,8-dihydro-1H-pyrano[2,3-g]indol-9-ylidene)hydroxylamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 232.0848 Da
Monoisotopic Mass: 1.7
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]+	233.092076	146.3
[M+Na]+	255.074018	155.9
[M-H]-	231.077524	150.4
[M+NH4]+	250.118623	164.9
[M+K]+	271.047958	153.0
[M+H-H2O]+	215.082060	139.9
[M+HCOO]-	277.083001	167.0
[M+CH3COO]-	291.098651	159.3
[M+Na-2H]-	253.059466	154.3
[M]+	232.08425142	147.6
[M]-	232.08534858	147.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe