CID 170915963

7-methyl-4,7-diazaspiro[2.5]octan-6-one

Structural Information

Molecular Formula

C₇H₁₂N₂O

SMILES

CN1CC2(CC2)NCC1=O

InChI

InChI=1S/C7H12N2O/c1-9-5-7(2-3-7)8-4-6(9)10/h8H,2-5H2,1H3

InChIKey

ULRTWNFMVRYUBN-UHFFFAOYSA-N

Compound name

7-methyl-4,7-diazaspiro[2.5]octan-6-one

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 140.09496 Da
Monoisotopic Mass: -0.5
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]+	141.102236	138.3
[M+Na]+	163.084178	147.8
[M-H]-	139.087684	140.8
[M+NH4]+	158.128783	154.1
[M+K]+	179.058118	145.1
[M+H-H2O]+	123.092220	131.9
[M+HCOO]-	185.093161	155.6
[M+CH3COO]-	199.108811	173.6
[M+Na-2H]-	161.069626	144.6
[M]+	140.09441142	135.8
[M]-	140.09550858	135.8

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe