CID 2756500

2-amino-1-(4-methylpiperazin-1-yl)ethan-1-one

Structural Information

Molecular Formula
C7H15N3O
SMILES
CN1CCN(CC1)C(=O)CN
InChI
InChI=1S/C7H15N3O/c1-9-2-4-10(5-3-9)7(11)6-8/h2-6,8H2,1H3
InChIKey
ANHJTNKMQWWMDJ-UHFFFAOYSA-N
Compound name
2-amino-1-(4-methylpiperazin-1-yl)ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

222
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 136.5
[M+Na]+ 180.110718 141.9
[M-H]- 156.114224 136.2
[M+NH4]+ 175.155323 154.1
[M+K]+ 196.084658 140.9
[M+H-H2O]+ 140.118760 129.2
[M+HCOO]- 202.119701 154.5
[M+CH3COO]- 216.135351 178.4
[M+Na-2H]- 178.096166 140.0
[M]+ 157.12095142 131.0
[M]- 157.12204858 131.0
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