CID 155973605

1-(3-ethyl-3h-diazirin-3-yl)methanaminehydrochloride

Structural Information

Molecular Formula

C₄H₉N₃

SMILES

CCC1(N=N1)CN

InChI

InChI=1S/C4H9N3/c1-2-4(3-5)6-7-4/h2-3,5H2,1H3

InChIKey

FHKPKXJYMFTCQU-UHFFFAOYSA-N

Compound name

(3-ethyldiazirin-3-yl)methanamine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 99.07965 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]+	100.08693	120.3
[M+Na]+	122.06887	132.9
[M+NH4]+	117.11347	130.2
[M+K]+	138.04281	127.4
[M-H]-	98.072374	127.9
[M+Na-2H]-	120.05432	130.4
[M]+	99.079101	125.4
[M]-	99.080199	125.4

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.