CID 28065000

2-ethylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula

C₇H₇N₃

SMILES

CCC1=NC=C(C=N1)C#N

InChI

InChI=1S/C7H7N3/c1-2-7-9-4-6(3-8)5-10-7/h4-5H,2H2,1H3

InChIKey

MIFBIJDNSKXRMG-UHFFFAOYSA-N

Compound name

2-ethylpyrimidine-5-carbonitrile

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 14
Patents: 133.064 Da
Monoisotopic Mass: 0.8
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	128.5
[M+Na]+	156.05322	141.7
[M+NH4]+	151.09782	133.4
[M+K]+	172.02716	132.1
[M-H]-	132.05672	122.7
[M+Na-2H]-	154.03867	133.6
[M]+	133.06345	127.9
[M]-	133.06455	127.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe