CID 11672770

N-methylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C6H13N3O
SMILES
CNC(=O)N1CCNCC1
InChI
InChI=1S/C6H13N3O/c1-7-6(10)9-4-2-8-3-5-9/h8H,2-5H2,1H3,(H,7,10)
InChIKey
HPYONZVIPMACEZ-UHFFFAOYSA-N
Compound name
N-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

525
Patents

143.10587 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.113146 132.5
[M+Na]+ 166.095088 137.0
[M-H]- 142.098594 131.1
[M+NH4]+ 161.139693 150.0
[M+K]+ 182.069028 135.7
[M+H-H2O]+ 126.103130 125.3
[M+HCOO]- 188.104071 150.0
[M+CH3COO]- 202.119721 171.6
[M+Na-2H]- 164.080536 137.8
[M]+ 143.10532142 125.3
[M]- 143.10641858 125.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe