CID 68286

1-carbethoxy-4-methylpiperazine hydrochloride

Structural Information

Molecular Formula
C8H16N2O2
SMILES
CCOC(=O)N1CCN(CC1)C
InChI
InChI=1S/C8H16N2O2/c1-3-12-8(11)10-6-4-9(2)5-7-10/h3-7H2,1-2H3
InChIKey
USYYUUDWGLOMDJ-UHFFFAOYSA-N
Compound name
ethyl 4-methylpiperazine-1-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

358
Patents

172.12119 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 173.128466 139.4
[M+Na]+ 195.110408 145.2
[M-H]- 171.113914 139.5
[M+NH4]+ 190.155013 157.1
[M+K]+ 211.084348 145.0
[M+H-H2O]+ 155.118450 132.2
[M+HCOO]- 217.119391 157.0
[M+CH3COO]- 231.135041 178.6
[M+Na-2H]- 193.095856 143.2
[M]+ 172.12064142 137.5
[M]- 172.12173858 137.5
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