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

135
Patents

180.1375 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 181.144776 142.1
[M+Na]+ 203.126718 147.3
[M-H]- 179.130224 140.8
[M+NH4]+ 198.171323 157.0
[M+K]+ 219.100658 144.2
[M+H-H2O]+ 163.134760 132.1
[M+HCOO]- 225.135701 157.7
[M+CH3COO]- 239.151351 152.2
[M+Na-2H]- 201.112166 146.3
[M]+ 180.13695142 136.1
[M]- 180.13804858 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