CID 84647667

2-methyl-2,5-diazabicyclo[4.1.0]heptane

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN1CCNC2C1C2

InChI

InChI=1S/C6H12N2/c1-8-3-2-7-5-4-6(5)8/h5-7H,2-4H2,1H3

InChIKey

DPMXELPCGFHYCP-UHFFFAOYSA-N

Compound name

2-methyl-2,5-diazabicyclo[4.1.0]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 15
Patents: 112.10005 Da
Monoisotopic Mass: -0.1
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]+	113.10733	124.2
[M+Na]+	135.08927	136.9
[M+NH4]+	130.13387	133.8
[M+K]+	151.06321	132.4
[M-H]-	111.09277	131.8
[M+Na-2H]-	133.07472	131.2
[M]+	112.09950	129.1
[M]-	112.10060	129.1

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe