CID 19704824

1-(1-methylpyrrolidine-2-carbonyl)piperazine

Structural Information

Molecular Formula
C10H19N3O
SMILES
CN1CCCC1C(=O)N2CCNCC2
InChI
InChI=1S/C10H19N3O/c1-12-6-2-3-9(12)10(14)13-7-4-11-5-8-13/h9,11H,2-8H2,1H3
InChIKey
AMYCICQYTOATBX-UHFFFAOYSA-N
Compound name
(1-methylpyrrolidin-2-yl)-piperazin-1-ylmethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

14
Patents

197.15282 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 198.16010 149.1
[M+Na]+ 220.14204 152.7
[M-H]- 196.14554 149.0
[M+NH4]+ 215.18664 164.8
[M+K]+ 236.11598 150.4
[M+H-H2O]+ 180.15008 140.3
[M+HCOO]- 242.15102 162.2
[M+CH3COO]- 256.16667 179.9
[M+Na-2H]- 218.12749 148.9
[M]+ 197.15227 140.4
[M]- 197.15337 140.4
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