CID 9576785

Propionaldazine

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC/C=N/N=C/CC

InChI

InChI=1S/C6H12N2/c1-3-5-7-8-6-4-2/h5-6H,3-4H2,1-2H3/b7-5+,8-6+

InChIKey

RPFMGCRMNJQDOS-KQQUZDAGSA-N

Compound name

(E)-N-[(E)-propylideneamino]propan-1-imine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 17
Patents: 112.10005 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]+	113.10733	122.8
[M+Na]+	135.08927	129.9
[M-H]-	111.09277	126.0
[M+NH4]+	130.13387	146.6
[M+K]+	151.06321	130.4
[M+H-H2O]+	95.097310	117.4
[M+HCOO]-	157.09825	152.1
[M+CH3COO]-	171.11390	179.1
[M+Na-2H]-	133.07472	131.5
[M]+	112.09950	124.8
[M]-	112.10060	124.8

Literature stripe

literature stripe

Patent stripe

patents stripe