CID 137946062

2287248-96-6

Structural Information

Molecular Formula

C₆H₁₀N₂O

SMILES

CN1[C@@H]2C[C@@H]2NCC1=O

InChI

InChI=1S/C6H10N2O/c1-8-5-2-4(5)7-3-6(8)9/h4-5,7H,2-3H2,1H3/t4-,5+/m0/s1

InChIKey

IKSTXALZXPOIQI-CRCLSJGQSA-N

Compound name

(1R,6S)-2-methyl-2,5-diazabicyclo[4.1.0]heptan-3-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 126.079315 Da
Monoisotopic Mass: -0.6
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]+	127.086591	133.7
[M+Na]+	149.068533	144.2
[M-H]-	125.072039	135.1
[M+NH4]+	144.113138	149.1
[M+K]+	165.042473	140.4
[M+H-H2O]+	109.076575	127.1
[M+HCOO]-	171.077516	151.3
[M+CH3COO]-	185.093166	173.4
[M+Na-2H]-	147.053981	139.8
[M]+	126.07876642	132.7
[M]-	126.07986358	132.7

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.