CID 3058313

Brn 5033769

Structural Information

Molecular Formula
C12H18N4
SMILES
CN1CCN(CC1)C2=NC=C3CCNC3=C2
InChI
InChI=1S/C12H18N4/c1-15-4-6-16(7-5-15)12-8-11-10(9-14-12)2-3-13-11/h8-9,13H,2-7H2,1H3
InChIKey
DHGRGIUCOFEQNS-UHFFFAOYSA-N
Compound name
6-(4-methylpiperazin-1-yl)-2,3-dihydro-1H-pyrrolo[3,2-c]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

218.15315 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 219.16043 153.1
[M+Na]+ 241.14237 159.3
[M-H]- 217.14587 153.0
[M+NH4]+ 236.18697 167.8
[M+K]+ 257.11631 154.5
[M+H-H2O]+ 201.15041 143.0
[M+HCOO]- 263.15135 166.0
[M+CH3COO]- 277.16700 162.7
[M+Na-2H]- 239.12782 155.9
[M]+ 218.15260 146.2
[M]- 218.15370 146.2
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

No patent data available for this compound.