CID 69682

4-amino-2-methylpyrimidine-5-carbonitrile

Structural Information

Molecular Formula
C6H6N4
SMILES
CC1=NC=C(C(=N1)N)C#N
InChI
InChI=1S/C6H6N4/c1-4-9-3-5(2-7)6(8)10-4/h3H,1H3,(H2,8,9,10)
InChIKey
YBPNIILOUYAGIF-UHFFFAOYSA-N
Compound name
4-amino-2-methylpyrimidine-5-carbonitrile
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

166
Patents

134.05925 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 135.06653 125.3
[M+Na]+ 157.04847 136.0
[M-H]- 133.05197 125.6
[M+NH4]+ 152.09307 142.1
[M+K]+ 173.02241 134.1
[M+H-H2O]+ 117.05651 111.6
[M+HCOO]- 179.05745 144.6
[M+CH3COO]- 193.07310 188.1
[M+Na-2H]- 155.03392 132.3
[M]+ 134.05870 118.8
[M]- 134.05980 118.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe