CID 410261

4-methylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C6H13N3O
SMILES
CN1CCN(CC1)C(=O)N
InChI
InChI=1S/C6H13N3O/c1-8-2-4-9(5-3-8)6(7)10/h2-5H2,1H3,(H2,7,10)
InChIKey
FYJORSKXVAOJFZ-UHFFFAOYSA-N
Compound name
4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

1265
Patents

143.10587 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 144.11315 132.0
[M+Na]+ 166.09509 137.8
[M-H]- 142.09859 131.9
[M+NH4]+ 161.13969 150.2
[M+K]+ 182.06903 137.1
[M+H-H2O]+ 126.10313 124.9
[M+HCOO]- 188.10407 150.4
[M+CH3COO]- 202.11972 175.3
[M+Na-2H]- 164.08054 136.1
[M]+ 143.10532 126.2
[M]- 143.10642 126.2
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