CID 64680684

4-(2-aminoethyl)-1-methylpiperazin-2-one

Structural Information

Molecular Formula
C7H15N3O
SMILES
CN1CCN(CC1=O)CCN
InChI
InChI=1S/C7H15N3O/c1-9-4-5-10(3-2-8)6-7(9)11/h2-6,8H2,1H3
InChIKey
WXEPBEURAILKFS-UHFFFAOYSA-N
Compound name
4-(2-aminoethyl)-1-methylpiperazin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

39
Patents

157.1215 Da
Monoisotopic Mass

-1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 158.128776 135.9
[M+Na]+ 180.110718 142.5
[M-H]- 156.114224 135.9
[M+NH4]+ 175.155323 153.9
[M+K]+ 196.084658 141.0
[M+H-H2O]+ 140.118760 128.8
[M+HCOO]- 202.119701 155.0
[M+CH3COO]- 216.135351 179.3
[M+Na-2H]- 178.096166 140.0
[M]+ 157.12095142 131.6
[M]- 157.12204858 131.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe