CID 11029795

(1s,4s)-2-methyl-2,5-diazabicyclo[2.2.1]heptane

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CN1C[C@@H]2C[C@H]1CN2

InChI

InChI=1S/C6H12N2/c1-8-4-5-2-6(8)3-7-5/h5-7H,2-4H2,1H3/t5-,6-/m0/s1

InChIKey

YFDRYBUJCGOYCQ-WDSKDSINSA-N

Compound name

(1S,4S)-2-methyl-2,5-diazabicyclo[2.2.1]heptane

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 1645
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]+	113.107326	124.7
[M+Na]+	135.089268	132.5
[M-H]-	111.092774	123.5
[M+NH4]+	130.133873	149.4
[M+K]+	151.063208	130.9
[M+H-H2O]+	95.097310	119.1
[M+HCOO]-	157.098251	143.0
[M+CH3COO]-	171.113901	137.9
[M+Na-2H]-	133.074716	129.0
[M]+	112.09950142	121.0
[M]-	112.10059858	121.0

Literature stripe

literature stripe

Patent stripe

patents stripe