CID 116045

1-piperazinecarboxamide, n-ethyl-4-methyl-, hydrochloride

Structural Information

Molecular Formula
C8H17N3O
SMILES
CCNC(=O)N1CCN(CC1)C
InChI
InChI=1S/C8H17N3O/c1-3-9-8(12)11-6-4-10(2)5-7-11/h3-7H2,1-2H3,(H,9,12)
InChIKey
JNGRMEMVULIXBF-UHFFFAOYSA-N
Compound name
N-ethyl-4-methylpiperazine-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

103
Patents

171.13716 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 172.14444 140.7
[M+Na]+ 194.12638 145.8
[M-H]- 170.12988 140.8
[M+NH4]+ 189.17098 158.2
[M+K]+ 210.10032 144.9
[M+H-H2O]+ 154.13442 133.2
[M+HCOO]- 216.13536 159.1
[M+CH3COO]- 230.15101 181.4
[M+Na-2H]- 192.11183 144.8
[M]+ 171.13661 136.6
[M]- 171.13771 136.6
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