CID 11908852

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

Structural Information

Molecular Formula

C₅H₁₀N₂

SMILES

C1[C@H]2CN[C@@H]1CN2

InChI

InChI=1S/C5H10N2/c1-4-2-6-5(1)3-7-4/h4-7H,1-3H2/t4-,5-/m0/s1

InChIKey

UKHJNJFJCGBKSF-WHFBIAKZSA-N

Compound name

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

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 1053
Patents: 98.0844 Da
Monoisotopic Mass: -0.6
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]+	99.091676	120.6
[M+Na]+	121.07362	127.5
[M-H]-	97.077124	117.9
[M+NH4]+	116.11822	144.8
[M+K]+	137.04756	125.3
[M+H-H2O]+	81.081660	115.1
[M+HCOO]-	143.08260	137.8
[M+CH3COO]-	157.09825	133.2
[M+Na-2H]-	119.05907	125.7
[M]+	98.083851	114.4
[M]-	98.084949	114.4

Literature stripe

literature stripe

Patent stripe

patents stripe