CID 79085

Acetone azine

Structural Information

Molecular Formula

C₆H₁₂N₂

SMILES

CC(=NN=C(C)C)C

InChI

InChI=1S/C6H12N2/c1-5(2)7-8-6(3)4/h1-4H3

InChIKey

PFLUPZGCTVGDLV-UHFFFAOYSA-N

Compound name

N-(propan-2-ylideneamino)propan-2-imine

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 739
References: 1832
Patents: 112.10005 Da
Monoisotopic Mass: 0.4
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	124.3
[M+Na]+	135.08927	130.9
[M-H]-	111.09277	127.7
[M+NH4]+	130.13387	148.0
[M+K]+	151.06321	132.2
[M+H-H2O]+	95.097310	119.0
[M+HCOO]-	157.09825	151.5
[M+CH3COO]-	171.11390	180.7
[M+Na-2H]-	133.07472	130.3
[M]+	112.09950	124.9
[M]-	112.10060	124.9

Literature stripe

literature stripe

Patent stripe

patents stripe