CID 4088542

5626-75-5

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

C1CC(=C(C#N)C#N)NC1

InChI

InChI=1S/C7H7N3/c8-4-6(5-9)7-2-1-3-10-7/h10H,1-3H2

InChIKey

YTYZEIROQZUBNE-UHFFFAOYSA-N

Compound name

2-pyrrolidin-2-ylidenepropanedinitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 133.064 Da
Monoisotopic Mass: 0.5
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]+	134.07128	143.7
[M+Na]+	156.05322	152.2
[M-H]-	132.05672	144.9
[M+NH4]+	151.09782	157.5
[M+K]+	172.02716	148.6
[M+H-H2O]+	116.06126	127.9
[M+HCOO]-	178.06220	153.6
[M+CH3COO]-	192.07785	205.6
[M+Na-2H]-	154.03867	144.7
[M]+	133.06345	131.8
[M]-	133.06455	131.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.