CID 132398907

1-methyl-1h,4h,6h,7h-pyrano[3,4-d]imidazole

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CN1C=NC2=C1CCOC2

InChI

InChI=1S/C7H10N2O/c1-9-5-8-6-4-10-3-2-7(6)9/h5H,2-4H2,1H3

InChIKey

UPXXCPZCMNKBOK-UHFFFAOYSA-N

Compound name

1-methyl-6,7-dihydro-4H-pyrano[3,4-d]imidazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 138.07932 Da
Monoisotopic Mass: -0.2
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]+	139.086596	126.0
[M+Na]+	161.068538	134.6
[M-H]-	137.072044	128.2
[M+NH4]+	156.113143	146.6
[M+K]+	177.042478	134.3
[M+H-H2O]+	121.076580	119.3
[M+HCOO]-	183.077521	145.7
[M+CH3COO]-	197.093171	139.9
[M+Na-2H]-	159.053986	133.7
[M]+	138.07877142	125.2
[M]-	138.07986858	125.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe