CID 14838555

131816-67-6

Structural Information

Molecular Formula
C9H14N4
SMILES
CC1=NC=CC(=N1)N2CCNCC2
InChI
InChI=1S/C9H14N4/c1-8-11-3-2-9(12-8)13-6-4-10-5-7-13/h2-3,10H,4-7H2,1H3
InChIKey
WYEQVNKICBCRPY-UHFFFAOYSA-N
Compound name
2-methyl-4-piperazin-1-ylpyrimidine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

51
Patents

178.12184 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 179.129116 142.3
[M+Na]+ 201.111058 148.6
[M-H]- 177.114564 141.3
[M+NH4]+ 196.155663 155.8
[M+K]+ 217.084998 144.8
[M+H-H2O]+ 161.119100 132.5
[M+HCOO]- 223.120041 157.0
[M+CH3COO]- 237.135691 152.5
[M+Na-2H]- 199.096506 148.7
[M]+ 178.12129142 135.8
[M]- 178.12238858 135.8
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