CID 53486463

1246892-18-1

Structural Information

Molecular Formula

C₇H₁₀N₂O

SMILES

CC1=NC2=C(O1)CCNC2

InChI

InChI=1S/C7H10N2O/c1-5-9-6-4-8-3-2-7(6)10-5/h8H,2-4H2,1H3

InChIKey

PQIWEXROWQJDAS-UHFFFAOYSA-N

Compound name

2-methyl-4,5,6,7-tetrahydro-[1,3]oxazolo[4,5-c]pyridine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 33
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	126.7
[M+Na]+	161.068538	135.0
[M-H]-	137.072044	127.6
[M+NH4]+	156.113143	146.7
[M+K]+	177.042478	133.7
[M+H-H2O]+	121.076580	120.3
[M+HCOO]-	183.077521	144.9
[M+CH3COO]-	197.093171	139.9
[M+Na-2H]-	159.053986	134.0
[M]+	138.07877142	124.1
[M]-	138.07986858	124.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe