CID 712909

N,n-dimethylpiperazine-1-carboxamide

Structural Information

Molecular Formula
C7H15N3O
SMILES
CN(C)C(=O)N1CCNCC1
InChI
InChI=1S/C7H15N3O/c1-9(2)7(11)10-5-3-8-4-6-10/h8H,3-6H2,1-2H3
InChIKey
XMFYMWXCIWIHAC-UHFFFAOYSA-N
Compound name
N,N-dimethylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

764
Patents

157.1215 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 136.5
[M+Na]+ 180.110718 140.7
[M-H]- 156.114224 136.5
[M+NH4]+ 175.155323 154.1
[M+K]+ 196.084658 140.6
[M+H-H2O]+ 140.118760 129.0
[M+HCOO]- 202.119701 154.2
[M+CH3COO]- 216.135351 178.1
[M+Na-2H]- 178.096166 140.6
[M]+ 157.12095142 130.9
[M]- 157.12204858 130.9
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