CID 137346631

2731010-01-6

Structural Information

Molecular Formula

C₈H₁₃N₃

SMILES

C#CCCC1(N=N1)CCCN

InChI

InChI=1S/C8H13N3/c1-2-3-5-8(10-11-8)6-4-7-9/h1H,3-7,9H2

InChIKey

WLBFPIISFPQQSE-UHFFFAOYSA-N

Compound name

3-(3-but-3-ynyldiazirin-3-yl)propan-1-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 151.11095 Da
Monoisotopic Mass: 0.9
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]+	152.11823	133.9
[M+Na]+	174.10017	145.5
[M+NH4]+	169.14477	139.5
[M+K]+	190.07411	136.8
[M-H]-	150.10367	133.0
[M+Na-2H]-	172.08562	140.0
[M]+	151.11040	135.5
[M]-	151.11150	135.5

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.