CID 57856653

1630082-57-3

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN1CC2(C1)CNC2

InChI

InChI=1S/C6H12N2/c1-8-4-6(5-8)2-7-3-6/h7H,2-5H2,1H3

InChIKey

ALPTZPFVGLVIKK-UHFFFAOYSA-N

Compound name

2-methyl-2,6-diazaspiro[3.3]heptane

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 513
Patents: 112.10005 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]+	113.107326	118.4
[M+Na]+	135.089268	123.7
[M-H]-	111.092774	120.2
[M+NH4]+	130.133873	126.9
[M+K]+	151.063208	127.8
[M+H-H2O]+	95.097310	104.8
[M+HCOO]-	157.098251	134.2
[M+CH3COO]-	171.113901	180.3
[M+Na-2H]-	133.074716	125.8
[M]+	112.09950142	131.0
[M]-	112.10059858	131.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe