CID 22688903

2-[4-(pyrimidin-2-yl)piperazin-1-yl]acetonitrile

Structural Information

Molecular Formula
C10H13N5
SMILES
C1CN(CCN1CC#N)C2=NC=CC=N2
InChI
InChI=1S/C10H13N5/c11-2-5-14-6-8-15(9-7-14)10-12-3-1-4-13-10/h1,3-4H,5-9H2
InChIKey
GNHNLTWAAXUZQJ-UHFFFAOYSA-N
Compound name
2-(4-pyrimidin-2-ylpiperazin-1-yl)acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

203.1171 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 204.12438 140.3
[M+Na]+ 226.10632 147.7
[M-H]- 202.10982 138.8
[M+NH4]+ 221.15092 151.2
[M+K]+ 242.08026 143.7
[M+H-H2O]+ 186.11436 122.9
[M+HCOO]- 248.11530 152.7
[M+CH3COO]- 262.13095 149.0
[M+Na-2H]- 224.09177 146.3
[M]+ 203.11655 130.8
[M]- 203.11765 130.8
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