CID 21138917

2231676-00-7

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN1C2CC1CNC2

InChI

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

InChIKey

JOWAQVQRALBJGS-UHFFFAOYSA-N

Compound name

6-methyl-3,6-diazabicyclo[3.1.1]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 99
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	130.1
[M+Na]+	135.08927	135.7
[M-H]-	111.09277	125.4
[M+NH4]+	130.13387	147.6
[M+K]+	151.06321	137.1
[M+H-H2O]+	95.097310	120.6
[M+HCOO]-	157.09825	141.1
[M+CH3COO]-	171.11390	141.0
[M+Na-2H]-	133.07472	141.0
[M]+	112.09950	138.2
[M]-	112.10060	138.2

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe