CID 2759349

381721-55-7

Structural Information

Molecular Formula
C9H16N4
SMILES
C1CN(CCN1)CCN2C=CN=C2
InChI
InChI=1S/C9H16N4/c1-4-12(5-2-10-1)7-8-13-6-3-11-9-13/h3,6,9-10H,1-2,4-5,7-8H2
InChIKey
WTDMCLGFEXQYOU-UHFFFAOYSA-N
Compound name
1-(2-imidazol-1-ylethyl)piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

136
Patents

180.1375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.14478 142.1
[M+Na]+ 203.12672 147.3
[M-H]- 179.13022 140.8
[M+NH4]+ 198.17132 157.0
[M+K]+ 219.10066 144.2
[M+H-H2O]+ 163.13476 132.1
[M+HCOO]- 225.13570 157.7
[M+CH3COO]- 239.15135 152.2
[M+Na-2H]- 201.11217 146.3
[M]+ 180.13695 136.1
[M]- 180.13805 136.1
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