CID 82668199

2-(1h-imidazol-2-yl)-1-methylpiperazine

Structural Information

Molecular Formula
C8H14N4
SMILES
CN1CCNCC1C2=NC=CN2
InChI
InChI=1S/C8H14N4/c1-12-5-4-9-6-7(12)8-10-2-3-11-8/h2-3,7,9H,4-6H2,1H3,(H,10,11)
InChIKey
MBIVPEKQMUQASJ-UHFFFAOYSA-N
Compound name
2-(1H-imidazol-2-yl)-1-methylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

166.12184 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 167.12912 139.1
[M+Na]+ 189.11106 145.4
[M-H]- 165.11456 137.1
[M+NH4]+ 184.15566 154.3
[M+K]+ 205.08500 141.5
[M+H-H2O]+ 149.11910 130.0
[M+HCOO]- 211.12004 153.6
[M+CH3COO]- 225.13569 149.4
[M+Na-2H]- 187.09651 142.6
[M]+ 166.12129 131.3
[M]- 166.12239 131.3
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