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]+ 204.124376 140.3
[M+Na]+ 226.106318 147.7
[M-H]- 202.109824 138.8
[M+NH4]+ 221.150923 151.2
[M+K]+ 242.080258 143.7
[M+H-H2O]+ 186.114360 122.9
[M+HCOO]- 248.115301 152.7
[M+CH3COO]- 262.130951 149.0
[M+Na-2H]- 224.091766 146.3
[M]+ 203.11655142 130.8
[M]- 203.11764858 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