CID 28065000

2-ethyl-5-pyrimidinecarbonitrile

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

15
Patents

133.064 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 134.07128 123.3
[M+Na]+ 156.05322 133.8
[M-H]- 132.05672 123.7
[M+NH4]+ 151.09782 140.5
[M+K]+ 172.02716 131.7
[M+H-H2O]+ 116.06126 109.5
[M+HCOO]- 178.06220 142.1
[M+CH3COO]- 192.07785 186.1
[M+Na-2H]- 154.03867 131.5
[M]+ 133.06345 118.5
[M]- 133.06455 118.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe